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

Systemtic Name: N-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(4-fluoroanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(4-fluorophenyl)acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C19H21F2N4OS+ MolecularWeight: 391.458046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C19H20F2N4OS/c20-14-1-5-16(6-2-14)22-18(26)13-24-9-11-25(12-10-24)19(27)23-17-7-3-15(21)4-8-17/h1-8H,9-13H2,(H,22,26)(H,23,27)/p+1