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

Systemtic Name: 2-[4-[(3-fluoranyl-4-methyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-[(3-fluoro-4-methyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-[(3-fluoro-4-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-[(3-fluoro-4-methyl-phenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Formula: C20H23F2N4OS+ MolecularWeight: 405.484626

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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=C(C=C3)F)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F)F

InChI

InChI=1S/C20H22F2N4OS/c1-14-2-5-17(12-18(14)22)24-20(28)26-10-8-25(9-11-26)13-19(27)23-16-6-3-15(21)4-7-16/h2-7,12H,8-11,13H2,1H3,(H,23,27)(H,24,28)/p+1