2-(2-methylphenyl)sulfanyl-1-[4-[4-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2-methylphenyl)sulfanyl-1-[4-[4-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 2-(o-tolylsulfanyl)-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone CAS Name: 2-[(2-methylphenyl)thio]-1-[4-[oxo-[4-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(2-methylphenyl)sulfanyl-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone Traditional Name: 2-(o-tolylthio)-1-[4-[4-(trifluoromethyl)benzoyl]piperazino]ethanone Formula: C21H21F3N2O2S MolecularWeight: 422.46385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O2S/c1-15-4-2-3-5-18(15)29-14-19(27)25-10-12-26(13-11-25)20(28)16-6-8-17(9-7-16)21(22,23)24/h2-9H,10-14H2,1H3