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

Systemtic Name: 1-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: 1-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)-N-phenyl-piperidine-3-carboxamide CAS Name: 1-[oxo-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)methyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: 1-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)-N-phenylpiperidine-3-carboxamide Traditional Name: 1-(4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)-N-phenyl-nipecotamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3S/c26-20-10-12-29-19-9-8-15(13-18(19)24-20)22(28)25-11-4-5-16(14-25)21(27)23-17-6-2-1-3-7-17/h1-3,6-9,13,16H,4-5,10-12,14H2,(H,23,27)(H,24,26)