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

Systemtic Name: N-(3-fluorophenyl)-2-[4-(phenethylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-(phenethylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[(phenethylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-(phenethylcarbamothioyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-(phenethylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C21H26FN4OS+ MolecularWeight: 401.520743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H25FN4OS/c22-18-7-4-8-19(15-18)24-20(27)16-25-11-13-26(14-12-25)21(28)23-10-9-17-5-2-1-3-6-17/h1-8,15H,9-14,16H2,(H,23,28)(H,24,27)/p+1