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

Systemtic Name: N-(2-ethylphenyl)-2-[4-[(3-fluoranyl-4-methyl-phenyl)carbamothioyl]piperazin-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[(3-fluoro-4-methyl-phenyl)carbamothioyl]piperazin-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[(3-fluoro-4-methylphenyl)carbamothioyl]piperazin-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-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:

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=S)NC3=CC(=C(C=C3)C)F

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=S)NC3=CC(=C(C=C3)C)F

InChI

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