N-[6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepin-3-yl]piperidine-1-carboxamide

Systemtic Name: N-[6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepin-3-yl]piperidine-1-carboxamide Openeye Name: N-(5-benzyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)piperidine-1-carboxamide CAS Name: N-[6-oxo-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinyl]-1-piperidinecarboxamide IUPAC Name: N-(5-benzyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)piperidine-1-carboxamide Traditional Name: N-(5-benzyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)piperidine-1-carboxamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C26H25N3O2S/c30-25-21-11-5-6-12-23(21)32-24-14-13-20(27-26(31)28-15-7-2-8-16-28)17-22(24)29(25)18-19-9-3-1-4-10-19/h1,3-6,9-14,17H,2,7-8,15-16,18H2,(H,27,31)