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

Systemtic Name: diethyl 5-[[2-(trifluoromethyl)phenyl]carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[[2-(trifluoromethyl)phenyl]carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[sulfanylidene-[2-(trifluoromethyl)anilino]methyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(trifluoromethyl)phenyl]carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(trifluoromethyl)phenyl]thiocarbamoylamino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C20H19F3N2O4S MolecularWeight: 440.43607

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19F3N2O4S/c1-3-28-17(26)12-9-13(18(27)29-4-2)11-14(10-12)24-19(30)25-16-8-6-5-7-15(16)20(21,22)23/h5-11H,3-4H2,1-2H3,(H2,24,25,30)