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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC=C(C=C2)F)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC=C(C=C2)F)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H25FN4OS/c22-18-6-8-19(9-7-18)24-20(27)16-25-12-14-26(15-13-25)21(28)23-11-10-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,23,28)(H,24,27)