N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC2=C(C=C1)SCCC(=O)N2)C3=CC=CC=C3Cl

Isomeric SMILES

CN(C)C(CNC(=O)C1=CC2=C(C=C1)SCCC(=O)N2)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H22ClN3O2S/c1-24(2)17(14-5-3-4-6-15(14)21)12-22-20(26)13-7-8-18-16(11-13)23-19(25)9-10-27-18/h3-8,11,17H,9-10,12H2,1-2H3,(H,22,26)(H,23,25)