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

Systemtic Name: N-(3-methyl-2-phenyl-butyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(3-methyl-2-phenyl-butyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-(3-methyl-2-phenylbutyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(3-methyl-2-phenylbutyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-(3-methyl-2-phenyl-butyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=CC2=C(C=C1)SCCC(=O)N2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CNC(=O)C1=CC2=C(C=C1)SCCC(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O2S/c1-14(2)17(15-6-4-3-5-7-15)13-22-21(25)16-8-9-19-18(12-16)23-20(24)10-11-26-19/h3-9,12,14,17H,10-11,13H2,1-2H3,(H,22,25)(H,23,24)