2-(cyanomethylsulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide Openeye Name: 2-(cyanomethylsulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide CAS Name: 2-(cyanomethylthio)-N-[(3,4-dimethoxyphenyl)methyl]benzamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide Traditional Name: 2-(cyanomethylthio)-N-veratryl-benzamide Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=C2SCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=C2SCC#N)OC

InChI

InChI=1S/C18H18N2O3S/c1-22-15-8-7-13(11-16(15)23-2)12-20-18(21)14-5-3-4-6-17(14)24-10-9-19/h3-8,11H,10,12H2,1-2H3,(H,20,21)