diethyl 2-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: diethyl 2-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: diethyl 2-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]amino]benzene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[[3-(trifluoromethyl)phenyl]thiocarbamoylamino]benzene-1,4-dicarboxylic acid diethyl ester Formula: C20H19F3N2O4S MolecularWeight: 440.43607

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)NC(=S)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)NC(=S)NC2=CC=CC(=C2)C(F)(F)F

InChI

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