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

Systemtic Name: N-(4-fluorophenyl)-2-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-(o-tolylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[(2-methylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-(o-tolylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C20H24FN4OS+ MolecularWeight: 387.494163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H23FN4OS/c1-15-4-2-3-5-18(15)23-20(27)25-12-10-24(11-13-25)14-19(26)22-17-8-6-16(21)7-9-17/h2-9H,10-14H2,1H3,(H,22,26)(H,23,27)/p+1