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

Systemtic Name: N-(2-ethylphenyl)-2-[4-[(2-fluorophenyl)carbamothioyl]piperazin-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[(2-fluorophenyl)carbamothioyl]piperazin-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[(2-fluoroanilino)-sulfanylidenemethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[(2-fluorophenyl)carbamothioyl]piperazin-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[(2-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=CC=C3F

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=S)NC3=CC=CC=C3F

InChI

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