4-oxidanylidene-N-(1-phenylbutyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-(1-phenylbutyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-(1-phenylbutyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-(1-phenylbutyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-(1-phenylbutyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-(1-phenylbutyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C20H22N2O2S/c1-2-6-16(14-7-4-3-5-8-14)22-20(24)15-9-10-18-17(13-15)21-19(23)11-12-25-18/h3-5,7-10,13,16H,2,6,11-12H2,1H3,(H,21,23)(H,22,24)