N-(3-fluorophenyl)-2-[4-[(4-fluorophenyl)methylcarbamothioyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-[(4-fluorophenyl)methylcarbamothioyl]piperazin-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-[(4-fluorophenyl)methylcarbamothioyl]piperazin-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]-1-piperazinyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-[(4-fluorophenyl)methylcarbamothioyl]piperazin-1-yl]acetamide Traditional Name: 2-[4-[(4-fluorobenzyl)thiocarbamoyl]piperazino]-N-(3-fluorophenyl)acetamide Formula: C20H22F2N4OS MolecularWeight: 404.476686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC(=CC=C2)F)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC(=CC=C2)F)C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H22F2N4OS/c21-16-6-4-15(5-7-16)13-23-20(28)26-10-8-25(9-11-26)14-19(27)24-18-3-1-2-17(22)12-18/h1-7,12H,8-11,13-14H2,(H,23,28)(H,24,27)