6-(3-chlorophenyl)-N-(2-methylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-(3-chlorophenyl)-N-(2-methylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-(3-chlorophenyl)-N-isobutyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-(3-chlorophenyl)-N-(2-methylpropyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-(3-chlorophenyl)-N-(2-methylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-(3-chlorophenyl)-N-isobutyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H21ClN2OS MolecularWeight: 420.95434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=N2)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=N2)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H21ClN2OS/c1-15(2)14-26-24(28)17-10-11-22-20(13-17)27-23(16-6-5-7-18(25)12-16)19-8-3-4-9-21(19)29-22/h3-13,15H,14H2,1-2H3,(H,26,28)