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

Systemtic Name: N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-13-3-6-15(7-4-13)21-19(25)12-23(2)20(26)14-5-8-17-16(11-14)22-18(24)9-10-27-17/h3-8,11H,9-10,12H2,1-2H3,(H,21,25)(H,22,24)