2-[[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-(2-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[[2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl]-methyl-amino]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl]-methylamino]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-[[2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl]-methyl-amino]-N-[2-(methylthio)phenyl]acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1SC)CC(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1SC)CC(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C21H24N4O2S/c1-24(15-20(26)23-18-11-6-7-12-19(18)28-2)16-21(27)25(14-8-13-22)17-9-4-3-5-10-17/h3-7,9-12H,8,14-16H2,1-2H3,(H,23,26)