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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[(3-fluoranyl-4-methyl-phenyl)carbamothioyl]piperazin-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[(3-fluoro-4-methyl-phenyl)carbamothioyl]piperazin-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[(3-fluoro-4-methylphenyl)carbamothioyl]piperazin-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[(3-fluoro-4-methyl-phenyl)thiocarbamoyl]piperazino]acetamide Formula: C22H27FN4OS MolecularWeight: 414.539383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=S)NC3=CC(=C(C=C3)C)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=S)NC3=CC(=C(C=C3)C)F)C

InChI

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