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

Systemtic Name: N-(3-fluorophenyl)-2-[4-[(phenylmethyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzylcarbamothioyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[[(phenylmethyl)amino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(benzylcarbamothioyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-(benzylthiocarbamoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C20H24FN4OS+ MolecularWeight: 387.494163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H23FN4OS/c21-17-7-4-8-18(13-17)23-19(26)15-24-9-11-25(12-10-24)20(27)22-14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H,22,27)(H,23,26)/p+1