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

Systemtic Name: N-(4-fluorophenyl)-2-[4-(methylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-(methylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[methylamino(sulfanylidene)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-(methylcarbamothioyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-(methylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C14H20FN4OS+ MolecularWeight: 311.398203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19FN4OS/c1-16-14(21)19-8-6-18(7-9-19)10-13(20)17-12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3,(H,16,21)(H,17,20)/p+1