4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(2-methylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(2-methylphenyl)piperazine-1-carbothioamide Openeye Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(o-tolyl)piperazine-1-carbothioamide CAS Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(2-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(o-tolyl)piperazine-1-carbothioamide Formula: C20H19F6N3O2S2 MolecularWeight: 511.504179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H19F6N3O2S2/c1-13-4-2-3-5-17(13)27-18(32)28-6-8-29(9-7-28)33(30,31)16-11-14(19(21,22)23)10-15(12-16)20(24,25)26/h2-5,10-12H,6-9H2,1H3,(H,27,32)