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

Systemtic Name: N-(2-cyanoethyl)-2-[methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]-N-phenyl-propanamide Openeye Name: N-(2-cyanoethyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]amino]-N-phenyl-propanamide CAS Name: N-(2-cyanoethyl)-2-[methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]amino]-N-phenylpropanamide IUPAC Name: N-(2-cyanoethyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-phenylpropanamide Traditional Name: N-(2-cyanoethyl)-2-[[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-amino]-N-phenyl-propionamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)N(C)CC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)N(C)CC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C22H26N4O2S/c1-17(22(28)26(15-9-14-23)18-10-5-4-6-11-18)25(2)16-21(27)24-19-12-7-8-13-20(19)29-3/h4-8,10-13,17H,9,15-16H2,1-3H3,(H,24,27)