N-(2-chlorophenyl)-2-[4-[(3-fluoranyl-4-methyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-[(3-fluoranyl-4-methyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-[(3-fluoro-4-methyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-[(3-fluoro-4-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-[(3-fluoro-4-methyl-phenyl)thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C20H23ClFN4OS+ MolecularWeight: 421.939223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl)F

InChI

InChI=1S/C20H22ClFN4OS/c1-14-6-7-15(12-17(14)22)23-20(28)26-10-8-25(9-11-26)13-19(27)24-18-5-3-2-4-16(18)21/h2-7,12H,8-11,13H2,1H3,(H,23,28)(H,24,27)/p+1