2-hexoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-hexoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide Openeye Name: 2-hexoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide CAS Name: 2-hexoxy-N-[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]benzamide IUPAC Name: 2-hexoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide Traditional Name: 2-hexoxy-N-[[3-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide Formula: C21H23F3N2O2S MolecularWeight: 424.47973

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C21H23F3N2O2S/c1-2-3-4-7-13-28-18-12-6-5-11-17(18)19(27)26-20(29)25-16-10-8-9-15(14-16)21(22,23)24/h5-6,8-12,14H,2-4,7,13H2,1H3,(H2,25,26,27,29)