N-(2,6-dimethylphenyl)-2-[4-[(3-fluoranyl-4-methyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[(3-fluoranyl-4-methyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[(3-fluoro-4-methyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[(3-fluoro-4-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[(3-fluoro-4-methyl-phenyl)thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C22H28FN4OS+ MolecularWeight: 415.547323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC(=C(C=C3)C)F

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC(=C(C=C3)C)F

InChI

InChI=1S/C22H27FN4OS/c1-15-7-8-18(13-19(15)23)24-22(29)27-11-9-26(10-12-27)14-20(28)25-21-16(2)5-4-6-17(21)3/h4-8,13H,9-12,14H2,1-3H3,(H,24,29)(H,25,28)/p+1