2-[(4-cyanophenyl)methylsulfanyl]-N-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]benzamide

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]benzamide Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]benzamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide Traditional Name: 2-[(4-cyanobenzyl)thio]-N-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]benzamide Formula: C25H24N2O2S MolecularWeight: 416.53526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(C)NC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)[C@H](C)NC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H24N2O2S/c1-17-8-13-23(29-3)22(14-17)18(2)27-25(28)21-6-4-5-7-24(21)30-16-20-11-9-19(15-26)10-12-20/h4-14,18H,16H2,1-3H3,(H,27,28)/t18-/m0/s1