(2R)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)propan-1-one

Systemtic Name: (2R)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)propan-1-one Openeye Name: (2R)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-methyl-1-piperidyl)propan-1-one CAS Name: (2R)-2-[[1-(3,4-dimethylphenyl)-2-imidazolyl]thio]-1-(4-methyl-1-piperidinyl)-1-propanone IUPAC Name: (2R)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)propan-1-one Traditional Name: (2R)-2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]thio]-1-(4-methylpiperidino)propan-1-one Formula: C20H27N3OS MolecularWeight: 357.51288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)SC2=NC=CN2C3=CC(=C(C=C3)C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@@H](C)SC2=NC=CN2C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C20H27N3OS/c1-14-7-10-22(11-8-14)19(24)17(4)25-20-21-9-12-23(20)18-6-5-15(2)16(3)13-18/h5-6,9,12-14,17H,7-8,10-11H2,1-4H3/t17-/m1/s1