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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)N2CCCSC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)N2CCCSC3=CC=CC=C32

InChI

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