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

Systemtic Name: N-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)-4-phenyl-piperazine-1-carboxamide Openeye Name: N-(5-methyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)-4-phenyl-piperazine-1-carboxamide CAS Name: N-(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)-4-phenyl-1-piperazinecarboxamide IUPAC Name: N-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-4-phenylpiperazine-1-carboxamide Traditional Name: N-(6-keto-5-methyl-benzo[b][1,4]benzothiazepin-3-yl)-4-phenyl-piperazine-1-carboxamide Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O2S/c1-27-21-17-18(11-12-23(21)32-22-10-6-5-9-20(22)24(27)30)26-25(31)29-15-13-28(14-16-29)19-7-3-2-4-8-19/h2-12,17H,13-16H2,1H3,(H,26,31)