N-(1-phenylethyl)-6-piperidin-1-yl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(1-phenylethyl)-6-piperidin-1-yl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(1-phenylethyl)-6-(1-piperidyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(1-phenylethyl)-6-(1-piperidinyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(1-phenylethyl)-6-piperidin-1-ylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(1-phenylethyl)-6-piperidino-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H27N3OS MolecularWeight: 441.58778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=N3)N5CCCCC5

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=N3)N5CCCCC5

InChI

InChI=1S/C27H27N3OS/c1-19(20-10-4-2-5-11-20)28-27(31)21-14-15-25-23(18-21)29-26(30-16-8-3-9-17-30)22-12-6-7-13-24(22)32-25/h2,4-7,10-15,18-19H,3,8-9,16-17H2,1H3,(H,28,31)