4-(2,3-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(2,3-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(2,3-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(2,3-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(2,3-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C20H22F3N3S MolecularWeight: 393.46899

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(F)(F)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(F)(F)F)C

InChI

InChI=1S/C20H22F3N3S/c1-14-5-3-8-18(15(14)2)25-9-11-26(12-10-25)19(27)24-17-7-4-6-16(13-17)20(21,22)23/h3-8,13H,9-12H2,1-2H3,(H,24,27)