N-(2-methoxyphenyl)-1-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonyl]piperidine-4-carboxamide

Systemtic Name: N-(2-methoxyphenyl)-1-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonyl]piperidine-4-carboxamide Openeye Name: N-(2-methoxyphenyl)-1-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)piperidine-4-carboxamide CAS Name: N-(2-methoxyphenyl)-1-[oxo-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)methyl]-4-piperidinecarboxamide IUPAC Name: N-(2-methoxyphenyl)-1-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)piperidine-4-carboxamide Traditional Name: 1-(4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)-N-(2-methoxyphenyl)isonipecotamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2CCN(CC2)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2CCN(CC2)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C23H25N3O4S/c1-30-19-5-3-2-4-17(19)25-22(28)15-8-11-26(12-9-15)23(29)16-6-7-20-18(14-16)24-21(27)10-13-31-20/h2-7,14-15H,8-13H2,1H3,(H,24,27)(H,25,28)