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

Systemtic Name: 4-(2-cyanoethanoylamino)-N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 4-[(2-cyanoacetyl)amino]-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]benzamide CAS Name: 4-[(2-cyano-1-oxoethyl)amino]-N-methyl-N-[2-[2-(methylthio)anilino]-2-oxoethyl]benzamide IUPAC Name: 4-[(2-cyanoacetyl)amino]-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide Traditional Name: 4-[(2-cyanoacetyl)amino]-N-[2-keto-2-[2-(methylthio)anilino]ethyl]-N-methyl-benzamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C20H20N4O3S/c1-24(13-19(26)23-16-5-3-4-6-17(16)28-2)20(27)14-7-9-15(10-8-14)22-18(25)11-12-21/h3-10H,11,13H2,1-2H3,(H,22,25)(H,23,26)