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

Systemtic Name: N-(3-fluorophenyl)-2-[4-(propylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-(propylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[propylamino(sulfanylidene)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-(propylcarbamothioyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-(propylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C16H24FN4OS+ MolecularWeight: 339.451363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23FN4OS/c1-2-6-18-16(23)21-9-7-20(8-10-21)12-15(22)19-14-5-3-4-13(17)11-14/h3-5,11H,2,6-10,12H2,1H3,(H,18,23)(H,19,22)/p+1