334653 <common-name>9-(2-chlorophenyl)-n-(furan-2-ylsulfonyl)-3-methyl-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)-n-(furan-2-ylsulfonyl)-3-methyl-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 has the chemical formula C23H19ClN6O3S3. With an average molecular weight of 559.10 g/mol, 9-(2-chlorophenyl)-n-(furan-2-ylsulfonyl)-3-methyl-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>132418-60-1</cas> <pubchem-id>3076797</pubchem-id> <chemical-formula>C23H19ClN6O3S3</chemical-formula> <weight>559.1</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">2026-08-30T16:25:58Z</created-at> <updated-at type="dateTime">2026-08-30T16:25:58Z</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=CO5)C(=NC2)C6=CC=CC=C6Cl</moldb-smiles> <moldb-formula>C23H19ClN6O3S3</moldb-formula> <moldb-inchi>InChI=1S/C23H19ClN6O3S3/c1-13-26-27-18-11-25-21(14-5-2-3-6-16(14)24)20-15-8-9-29(12-17(15)35-22(20)30(13)18)23(34)28-36(31,32)19-7-4-10-33-19/h2-7,10H,8-9,11-12H2,1H3,(H,28,34)</moldb-inchi> <moldb-inchikey>JVMCMWFJKHMGAS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">558.0369297</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.6</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>CHEM330546</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)-n-(furan-2-ylsulfonyl)-3-methyl-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>CED0285130</sync-id> <structure-inchikey>JVMCMWFJKHMGAS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000020000000001000400200000100000020800000000000000000000000000000000010000000000280420120000000000400000000400420000002000000000000004000000000000000800000208000100000000000080000000000000010000110010000000012010040000000240201000000000202800000000000000000c00000008000000000000000800800000001000000004000000000000000000000000000000802400840000000000000000000100880000000000008800000000000000000000000000008001000100000008020022012000000000000000000000100000000c0000000000002000020000000000040004000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAkAAAAKQAAAIABBgBgAAAAAQMGQCgAAAAD BAdAKAAAAAMDB0AoAAAAAwMGQCgAAAADBAdAKAAAAAMDBkAoAAAAAwQGQCgA AAADBAZAKAAAAAMEBkAoAAAAAwQQQCgAAAADAgYAYAAAAAICBwAoAAAAAwMG AGAAAAACAgYAYAAAAAICBgAoAAAAAwQQACgAAAADAgcAaAAAAAMCARAAIAAA AAYIACgAAAADAggAKAAAAAMCBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEG QGgAAAADAwEIQCgAAAADAgYAKAAAAAMEBwAoAAAAAwMGAGAAAAACAgZAKAAA AAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAA AwQRACAAAAABCwABAAECaAwCA2gMAwRoDAQFaAwFBiAGB2gMBwhoDAgJaAwJ CmgMCQsACwwADA0ADQ4ADA8gDxAoAg8RIBESABITCAISFAgCEhUAFRZoDBYX aAwXGGgMGBloDAcaIBobKAIbHAAaHSAdHmgMHh9oDB8gaAwgIWgMISJoDCIj AAUBaAwcBAAKBmgMDggAGRVoDCIdaAxCBgAAAAUBAgMEBQUKCQgHBgYLDA0O CAkFFhUZGBcHGxoHBgUEHAYeHyAhIh0XBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:36:28Z</structure-indexed-at> </compound>