N-[2-(4-methylphenyl)sulfanylethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[2-(p-tolylsulfanyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[2-(p-tolylthio)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C19H20N2O2S2 MolecularWeight: 372.5043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C19H20N2O2S2/c1-13-2-5-15(6-3-13)24-11-9-20-19(23)14-4-7-17-16(12-14)21-18(22)8-10-25-17/h2-7,12H,8-11H2,1H3,(H,20,23)(H,21,22)