N-[(4-pentoxyphenyl)carbamothioyl]-3-(trifluoromethyloxy)benzamide

Systemtic Name: N-[(4-pentoxyphenyl)carbamothioyl]-3-(trifluoromethyloxy)benzamide Openeye Name: N-[(4-pentoxyphenyl)carbamothioyl]-3-(trifluoromethoxy)benzamide CAS Name: N-[(4-pentoxyanilino)-sulfanylidenemethyl]-3-(trifluoromethoxy)benzamide IUPAC Name: N-[(4-pentoxyphenyl)carbamothioyl]-3-(trifluoromethoxy)benzamide Traditional Name: N-[(4-amoxyphenyl)thiocarbamoyl]-3-(trifluoromethoxy)benzamide Formula: C20H21F3N2O3S MolecularWeight: 426.45255

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OC(F)(F)F

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OC(F)(F)F

InChI

InChI=1S/C20H21F3N2O3S/c1-2-3-4-12-27-16-10-8-15(9-11-16)24-19(29)25-18(26)14-6-5-7-17(13-14)28-20(21,22)23/h5-11,13H,2-4,12H2,1H3,(H2,24,25,26,29)