4-(3-chlorophenyl)-N-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)piperazine-1-carboxamide

Systemtic Name: 4-(3-chlorophenyl)-N-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)piperazine-1-carboxamide Openeye Name: 4-(3-chlorophenyl)-N-(5-methyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)piperazine-1-carboxamide CAS Name: 4-(3-chlorophenyl)-N-(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)-1-piperazinecarboxamide IUPAC Name: 4-(3-chlorophenyl)-N-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)piperazine-1-carboxamide Traditional Name: 4-(3-chlorophenyl)-N-(6-keto-5-methyl-benzo[b][1,4]benzothiazepin-3-yl)piperazine-1-carboxamide Formula: C25H23ClN4O2S MolecularWeight: 478.99372

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)NC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)SC5=CC=CC=C5C1=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)NC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)SC5=CC=CC=C5C1=O

InChI

InChI=1S/C25H23ClN4O2S/c1-28-21-16-18(9-10-23(21)33-22-8-3-2-7-20(22)24(28)31)27-25(32)30-13-11-29(12-14-30)19-6-4-5-17(26)15-19/h2-10,15-16H,11-14H2,1H3,(H,27,32)