4-(2-cyanoethanoylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide

Systemtic Name: 4-(2-cyanoethanoylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide Openeye Name: 4-[(2-cyanoacetyl)amino]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide CAS Name: 4-[(2-cyano-1-oxoethyl)amino]-N-methyl-N-[[4-(methylthio)phenyl]methyl]benzamide IUPAC Name: 4-[(2-cyanoacetyl)amino]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide Traditional Name: 4-[(2-cyanoacetyl)amino]-N-methyl-N-[4-(methylthio)benzyl]benzamide Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C19H19N3O2S/c1-22(13-14-3-9-17(25-2)10-4-14)19(24)15-5-7-16(8-6-15)21-18(23)11-12-20/h3-10H,11,13H2,1-2H3,(H,21,23)