4-[[[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[[2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl]-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[2-[2-(cyanomethylthio)anilino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[[2-[2-(cyanomethylthio)anilino]-2-keto-ethyl]-methyl-amino]methyl]-N-methyl-benzamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C)CC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C)CC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C20H22N4O2S/c1-22-20(26)16-9-7-15(8-10-16)13-24(2)14-19(25)23-17-5-3-4-6-18(17)27-12-11-21/h3-10H,12-14H2,1-2H3,(H,22,26)(H,23,25)