2-[4-(butylcarbamothioyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(butylcarbamothioyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(butylcarbamothioyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-[butylamino(sulfanylidene)methyl]-1-piperazinyl]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(butylcarbamothioyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-(butylthiocarbamoyl)piperazino]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C18H25F3N4OS MolecularWeight: 402.47751

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN(CC1)CC(=O)NC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCCCNC(=S)N1CCN(CC1)CC(=O)NC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C18H25F3N4OS/c1-2-3-8-22-17(27)25-11-9-24(10-12-25)13-16(26)23-15-7-5-4-6-14(15)18(19,20)21/h4-7H,2-3,8-13H2,1H3,(H,22,27)(H,23,26)