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

Systemtic Name: N-(4-fluorophenyl)-2-[4-(2-methoxyethylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-(2-methoxyethylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[(2-methoxyethylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-(2-methoxyethylcarbamothioyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-(2-methoxyethylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C16H24FN4O2S+ MolecularWeight: 355.450763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23FN4O2S/c1-23-11-6-18-16(24)21-9-7-20(8-10-21)12-15(22)19-14-4-2-13(17)3-5-14/h2-5H,6-12H2,1H3,(H,18,24)(H,19,22)/p+1