2-[4-(prop-2-enylcarbamothioyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(prop-2-enylcarbamothioyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(allylcarbamothioyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-[(prop-2-enylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(prop-2-enylcarbamothioyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-(allylthiocarbamoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C17H22F3N4OS+ MolecularWeight: 387.44299

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

C=CCNC(=S)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C17H21F3N4OS/c1-2-7-21-16(26)24-10-8-23(9-11-24)12-15(25)22-14-6-4-3-5-13(14)17(18,19)20/h2-6H,1,7-12H2,(H,21,26)(H,22,25)/p+1