dipropan-2-yl 5-[[2-(trifluoromethyl)phenyl]carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dipropan-2-yl 5-[[2-(trifluoromethyl)phenyl]carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-[[2-(trifluoromethyl)phenyl]carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[sulfanylidene-[2-(trifluoromethyl)anilino]methyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[[2-(trifluoromethyl)phenyl]carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(trifluoromethyl)phenyl]thiocarbamoylamino]benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C22H23F3N2O4S MolecularWeight: 468.48923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=CC=C2C(F)(F)F)C(=O)OC(C)C

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=CC=C2C(F)(F)F)C(=O)OC(C)C

InChI

InChI=1S/C22H23F3N2O4S/c1-12(2)30-19(28)14-9-15(20(29)31-13(3)4)11-16(10-14)26-21(32)27-18-8-6-5-7-17(18)22(23,24)25/h5-13H,1-4H3,(H2,26,27,32)