347937 <common-name>9-(2-chlorophenyl)-3-methyl-n-(1-phenylpropan-2-yl)-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-(1-phenylpropan-2-yl)-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 chemical compound with the formula C28H27ClN6S2. With an average molecular weight of 547.10 g/mol, 9-(2-chlorophenyl)-3-methyl-n-(1-phenylpropan-2-yl)-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>132418-48-5</cas> <pubchem-id>3076785</pubchem-id> <chemical-formula>C28H27ClN6S2</chemical-formula> <weight>547.1</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">2026-08-31T11:47:43Z</created-at> <updated-at type="dateTime">2026-08-31T11:47:43Z</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)NC(C)CC5=CC=CC=C5)C(=NC2)C6=CC=CC=C6Cl</moldb-smiles> <moldb-formula>C28H27ClN6S2</moldb-formula> <moldb-inchi>InChI=1S/C28H27ClN6S2/c1-17(14-19-8-4-3-5-9-19)31-28(36)34-13-12-21-23(16-34)37-27-25(21)26(20-10-6-7-11-22(20)29)30-15-24-33-32-18(2)35(24)27/h3-11,17H,12-16H2,1-2H3,(H,31,36)</moldb-inchi> <moldb-inchikey>XUSVTYFNOSCRGV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass 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<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>CED0298273</sync-id> <structure-inchikey>XUSVTYFNOSCRGV-UHFFFAOYSA-N</structure-inchikey> 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