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

Systemtic Name: N-(3-fluorophenyl)-2-[4-[(2-fluorophenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-[(2-fluorophenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(2-fluoroanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-[(2-fluorophenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-[(2-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(=CC=C2)F)C(=S)NC3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=S)NC3=CC=CC=C3F

InChI

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