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

Systemtic Name: N-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[(4-fluorobenzyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Formula: C20H23F2N4OS+ MolecularWeight: 405.484626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22F2N4OS/c21-16-3-1-15(2-4-16)13-23-20(28)26-11-9-25(10-12-26)14-19(27)24-18-7-5-17(22)6-8-18/h1-8H,9-14H2,(H,23,28)(H,24,27)/p+1