N-[3-(dimethylsulfamoyl)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide

Systemtic Name: N-[3-(dimethylsulfamoyl)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide Openeye Name: N-[3-(dimethylsulfamoyl)phenyl]-4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioamide CAS Name: N-[3-(dimethylsulfamoyl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarbothioamide IUPAC Name: N-[3-(dimethylsulfamoyl)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide Traditional Name: N-[3-(dimethylsulfamoyl)phenyl]-4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioamide Formula: C19H22F3N5O2S2 MolecularWeight: 473.53549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H22F3N5O2S2/c1-25(2)31(28,29)16-5-3-4-15(12-16)24-18(30)27-10-8-26(9-11-27)17-7-6-14(13-23-17)19(20,21)22/h3-7,12-13H,8-11H2,1-2H3,(H,24,30)