6-phenylazanyl-N-piperidin-1-yl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-phenylazanyl-N-piperidin-1-yl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-anilino-N-(1-piperidyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-anilino-N-(1-piperidinyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-anilino-N-piperidin-1-ylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-anilino-N-piperidino-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H24N4OS MolecularWeight: 428.54926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=N3)NC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=N3)NC5=CC=CC=C5

InChI

InChI=1S/C25H24N4OS/c30-25(28-29-15-7-2-8-16-29)18-13-14-23-21(17-18)27-24(26-19-9-3-1-4-10-19)20-11-5-6-12-22(20)31-23/h1,3-6,9-14,17H,2,7-8,15-16H2,(H,26,27)(H,28,30)