2-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(3-methylphenyl)ethanamide Openeye Name: 2-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl]sulfanyl-N-(m-tolyl)acetamide CAS Name: 2-[[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide Traditional Name: 2-[[2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl]thio]-N-(m-tolyl)acetamide Formula: C21H24N2O2S2 MolecularWeight: 400.55746

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CSCC(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CSCC(=O)NC3=CC=CC(=C3)C

InChI

InChI=1S/C21H24N2O2S2/c1-15-6-5-7-17(12-15)22-20(24)13-26-14-21(25)23-11-10-16(2)27-19-9-4-3-8-18(19)23/h3-9,12,16H,10-11,13-14H2,1-2H3,(H,22,24)