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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[(4-fluorophenyl)methylcarbamothioyl]piperazin-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[(4-fluorophenyl)methylcarbamothioyl]piperazin-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[(4-fluorophenyl)methylcarbamothioyl]piperazin-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[(4-fluorobenzyl)thiocarbamoyl]piperazino]acetamide Formula: C22H27FN4OS MolecularWeight: 414.539383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H27FN4OS/c1-16-4-3-5-20(17(16)2)25-21(28)15-26-10-12-27(13-11-26)22(29)24-14-18-6-8-19(23)9-7-18/h3-9H,10-15H2,1-2H3,(H,24,29)(H,25,28)