N-(2-ethylphenyl)-2-[4-[(4-fluorophenyl)carbamothioyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[(4-fluorophenyl)carbamothioyl]piperazin-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[(4-fluorophenyl)carbamothioyl]piperazin-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[(4-fluoroanilino)-sulfanylidenemethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[(4-fluorophenyl)carbamothioyl]piperazin-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[(4-fluorophenyl)thiocarbamoyl]piperazino]acetamide Formula: C21H25FN4OS MolecularWeight: 400.512803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN4OS/c1-2-16-5-3-4-6-19(16)24-20(27)15-25-11-13-26(14-12-25)21(28)23-18-9-7-17(22)8-10-18/h3-10H,2,11-15H2,1H3,(H,23,28)(H,24,27)