6-oxidanylidene-N-(4-phenylbutan-2-yl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-oxidanylidene-N-(4-phenylbutan-2-yl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(1-methyl-3-phenyl-propyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-oxo-N-(4-phenylbutan-2-yl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: 6-oxo-N-(4-phenylbutan-2-yl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-N-(1-methyl-3-phenyl-propyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H22N2O2S MolecularWeight: 402.50868

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C24H22N2O2S/c1-16(11-12-17-7-3-2-4-8-17)25-23(27)18-13-14-22-20(15-18)26-24(28)19-9-5-6-10-21(19)29-22/h2-10,13-16H,11-12H2,1H3,(H,25,27)(H,26,28)