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

Systemtic Name: N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-methyl-N-[2-[2-(methylthio)anilino]-2-oxoethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[2-keto-2-[2-(methylthio)anilino]ethyl]-N-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C20H21N3O3S2/c1-23(12-19(25)21-14-5-3-4-6-16(14)27-2)20(26)13-7-8-17-15(11-13)22-18(24)9-10-28-17/h3-8,11H,9-10,12H2,1-2H3,(H,21,25)(H,22,24)