N-[2-(cyanomethylsulfanyl)phenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[cyclopropyl(p-anisyl)amino]acetamide Formula: C21H23N3O2S MolecularWeight: 381.49122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC(=O)NC2=CC=CC=C2SCC#N)C3CC3

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC(=O)NC2=CC=CC=C2SCC#N)C3CC3

InChI

InChI=1S/C21H23N3O2S/c1-26-18-10-6-16(7-11-18)14-24(17-8-9-17)15-21(25)23-19-4-2-3-5-20(19)27-13-12-22/h2-7,10-11,17H,8-9,13-15H2,1H3,(H,23,25)