N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)sulfanyl-propanamide

Systemtic Name: N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)sulfanyl-propanamide Openeye Name: N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-3-(p-tolylsulfanyl)propanamide CAS Name: N-[[4-(2-methyl-1-imidazolyl)phenyl]methyl]-3-[(4-methylphenyl)thio]propanamide IUPAC Name: N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-[4-(2-methylimidazol-1-yl)benzyl]-3-(p-tolylthio)propionamide Formula: C21H23N3OS MolecularWeight: 365.49182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)NCC2=CC=C(C=C2)N3C=CN=C3C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)NCC2=CC=C(C=C2)N3C=CN=C3C

InChI

InChI=1S/C21H23N3OS/c1-16-3-9-20(10-4-16)26-14-11-21(25)23-15-18-5-7-19(8-6-18)24-13-12-22-17(24)2/h3-10,12-13H,11,14-15H2,1-2H3,(H,23,25)