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

Systemtic Name: N-[(3-chlorophenyl)methyl]-6-piperidin-1-yl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-6-(1-piperidyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-6-(1-piperidinyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-6-piperidin-1-ylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(3-chlorobenzyl)-6-piperidino-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H24ClN3OS MolecularWeight: 462.00626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=C(C=CC(=C3)C(=O)NCC4=CC(=CC=C4)Cl)SC5=CC=CC=C52

Isomeric SMILES

C1CCN(CC1)C2=NC3=C(C=CC(=C3)C(=O)NCC4=CC(=CC=C4)Cl)SC5=CC=CC=C52

InChI

InChI=1S/C26H24ClN3OS/c27-20-8-6-7-18(15-20)17-28-26(31)19-11-12-24-22(16-19)29-25(30-13-4-1-5-14-30)21-9-2-3-10-23(21)32-24/h2-3,6-12,15-16H,1,4-5,13-14,17H2,(H,28,31)