334840 <common-name>9-(2-chlorophenyl)-3-methyl-n-(1h-pyrrol-2-ylsulfonyl)-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carbothioamide</common-name> <description>9-(2-chlorophenyl)-3-methyl-n-(1h-pyrrol-2-ylsulfonyl)-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carbothioamide is a compound with the formula C23H20ClN7O2S3. With an average molecular weight of 558.10 g/mol, 9-(2-chlorophenyl)-3-methyl-n-(1h-pyrrol-2-ylsulfonyl)-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carbothioamide is a heavy molecule.</description> <cas>132418-62-3</cas> <pubchem-id>3076799</pubchem-id> <chemical-formula>C23H20ClN7O2S3</chemical-formula> <weight>558.1</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-30T16:42:47Z</created-at> <updated-at type="dateTime">2026-08-30T16:42:47Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC1=NN=C2N1C3=C(C4=C(S3)CN(CC4)C(=S)NS(=O)(=O)C5=CC=CN5)C(=NC2)C6=CC=CC=C6Cl</moldb-smiles> <moldb-formula>C23H20ClN7O2S3</moldb-formula> <moldb-inchi>InChI=1S/C23H20ClN7O2S3/c1-13-27-28-18-11-26-21(14-5-2-3-6-16(14)24)20-15-8-10-30(12-17(15)35-22(20)31(13)18)23(34)29-36(32,33)19-7-4-9-25-19/h2-7,9,25H,8,10-12H2,1H3,(H,29,34)</moldb-inchi> <moldb-inchikey>ZHYQLYYBVSIJCC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">557.0529141</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM330733</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>9-(2-chlorophenyl)-3-methyl-n-(1h-pyrrol-2-ylsulfonyl)-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carbothioamide</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Thienodiazepines</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0285316</sync-id> <structure-inchikey>ZHYQLYYBVSIJCC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000001000400200000100000020800000000000000000000000100000000010000000000280420120000000000400000000400400000002000000000000004000000000000000800000200000100000000000080000000000000000000310010000000000010040000000240201000000000202800000000000000000c00000009040002000200000800800000001000000000000000000000000000000000000000800400800000000000000000000100880000020000008800000180000000000000000000008001000100000008020022012000000000000000000000100000000c0000000000000000020000000000040004000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAkAAAAKQAAAIABBgBgAAAAAQMGQCgAAAAD BAdAKAAAAAMDB0AoAAAAAwMGQCgAAAADBAdAKAAAAAMDBkAoAAAAAwQGQCgA AAADBAZAKAAAAAMEBkAoAAAAAwQQQCgAAAADAgYAYAAAAAICBwAoAAAAAwMG AGAAAAACAgYAYAAAAAICBgAoAAAAAwQQACgAAAADAgcAaAAAAAMCARAAIAAA AAYIACgAAAADAggAKAAAAAMCBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEG QGgAAAADAwEHQDgAAAADAQMGACgAAAADBAcAKAAAAAMDBgBgAAAAAgIGQCgA AAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAKAAA AAMEEQAgAAAAAQsAAQABAmgMAgNoDAMEaAwEBWgMBQYgBgdoDAcIaAwICWgM CQpoDAkLAAsMAAwNAA0OAAwPIA8QKAIPESAREgASEwgCEhQIAhIVABUWaAwW F2gMFxhoDBgZaAwHGiAaGygCGxwAGh0gHR5oDB4faAwfIGgMICFoDCEiaAwi IwAFAWgMHAQACgZoDA4IABkVaAwiHWgMQgYAAAAFAQIDBAUFCgkIBwYGCwwN DggJBRYVGRgXBxsaBwYFBBwGHh8gISIdFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:36:38Z</structure-indexed-at> </compound>