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

Systemtic Name: 3,5-dimethyl-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)-3,5-dimethyl-piperidine-1-carboxamide CAS Name: 3,5-dimethyl-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)-3,5-dimethylpiperidine-1-carboxamide Traditional Name: N-(5-benzyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)-3,5-dimethyl-piperidine-1-carboxamide Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)C

InChI

InChI=1S/C28H29N3O2S/c1-19-14-20(2)17-30(16-19)28(33)29-22-12-13-26-24(15-22)31(18-21-8-4-3-5-9-21)27(32)23-10-6-7-11-25(23)34-26/h3-13,15,19-20H,14,16-18H2,1-2H3,(H,29,33)