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

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfanyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide Openeye Name: 2-(3,4-dimethoxyphenyl)sulfanyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide CAS Name: 2-[(3,4-dimethoxyphenyl)thio]-N-[[4-(2-methyl-1-imidazolyl)phenyl]methyl]propanamide IUPAC Name: 2-(3,4-dimethoxyphenyl)sulfanyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide Traditional Name: 2-[(3,4-dimethoxyphenyl)thio]-N-[4-(2-methylimidazol-1-yl)benzyl]propionamide Formula: C22H25N3O3S MolecularWeight: 411.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=C(C=C2)CNC(=O)C(C)SC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=NC=CN1C2=CC=C(C=C2)CNC(=O)C(C)SC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H25N3O3S/c1-15(29-19-9-10-20(27-3)21(13-19)28-4)22(26)24-14-17-5-7-18(8-6-17)25-12-11-23-16(25)2/h5-13,15H,14H2,1-4H3,(H,24,26)