2-[4-(2-methylprop-2-enylcarbamothioyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide

Systemtic Name: 2-[4-(2-methylprop-2-enylcarbamothioyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[4-(2-methylallylcarbamothioyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[4-[(2-methylprop-2-enylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-[4-(2-methylprop-2-enylcarbamothioyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[4-(2-methylallylthiocarbamoyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C18H24F3N4O2S+ MolecularWeight: 417.46897

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CC(=C)CNC(=S)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C18H23F3N4O2S/c1-13(2)11-22-17(28)25-9-7-24(8-10-25)12-16(26)23-14-3-5-15(6-4-14)27-18(19,20)21/h3-6H,1,7-12H2,2H3,(H,22,28)(H,23,26)/p+1