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

Systemtic Name: N-(2-ethylphenyl)-2-[4-[(4-fluorophenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[(4-fluorophenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[(4-fluorophenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[(4-fluorobenzyl)thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C22H28FN4OS+ MolecularWeight: 415.547323

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN4OS/c1-2-18-5-3-4-6-20(18)25-21(28)16-26-11-13-27(14-12-26)22(29)24-15-17-7-9-19(23)10-8-17/h3-10H,2,11-16H2,1H3,(H,24,29)(H,25,28)/p+1