4-(2-methylphenyl)-N-[4-(trifluoromethyloxy)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(2-methylphenyl)-N-[4-(trifluoromethyloxy)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(o-tolyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide CAS Name: 4-(2-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(o-tolyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide Formula: C19H20F3N3OS MolecularWeight: 395.44181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C19H20F3N3OS/c1-14-4-2-3-5-17(14)24-10-12-25(13-11-24)18(27)23-15-6-8-16(9-7-15)26-19(20,21)22/h2-9H,10-13H2,1H3,(H,23,27)