[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[3-(2-methylsulfanylimidazol-1-yl)phenyl]methanone

Systemtic Name: [4-[(2-methylphenyl)methyl]piperazin-1-yl]-[3-(2-methylsulfanylimidazol-1-yl)phenyl]methanone Openeye Name: [3-(2-methylsulfanylimidazol-1-yl)phenyl]-[4-(o-tolylmethyl)piperazin-1-yl]methanone CAS Name: [4-[(2-methylphenyl)methyl]-1-piperazinyl]-[3-[2-(methylthio)-1-imidazolyl]phenyl]methanone IUPAC Name: [4-[(2-methylphenyl)methyl]piperazin-1-yl]-[3-(2-methylsulfanylimidazol-1-yl)phenyl]methanone Traditional Name: [4-(2-methylbenzyl)piperazino]-[3-[2-(methylthio)imidazol-1-yl]phenyl]methanone Formula: C23H26N4OS MolecularWeight: 406.54374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C=CN=C4SC

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C=CN=C4SC

InChI

InChI=1S/C23H26N4OS/c1-18-6-3-4-7-20(18)17-25-12-14-26(15-13-25)22(28)19-8-5-9-21(16-19)27-11-10-24-23(27)29-2/h3-11,16H,12-15,17H2,1-2H3