N-(3-fluorophenyl)-2-[4-(2-methylprop-2-enylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-(2-methylprop-2-enylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-(2-methylallylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[(2-methylprop-2-enylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-(2-methylprop-2-enylcarbamothioyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-(2-methylallylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C17H24FN4OS+ MolecularWeight: 351.462063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23FN4OS/c1-13(2)11-19-17(24)22-8-6-21(7-9-22)12-16(23)20-15-5-3-4-14(18)10-15/h3-5,10H,1,6-9,11-12H2,2H3,(H,19,24)(H,20,23)/p+1