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

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N-[(3,4-dimethoxyphenyl)methyl]benzamide IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide Traditional Name: 2-[(4-cyanobenzyl)thio]-N-veratryl-benzamide Formula: C24H22N2O3S MolecularWeight: 418.50808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C24H22N2O3S/c1-28-21-12-11-19(13-22(21)29-2)15-26-24(27)20-5-3-4-6-23(20)30-16-18-9-7-17(14-25)8-10-18/h3-13H,15-16H2,1-2H3,(H,26,27)