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

Systemtic Name: dimethyl 5-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[3-(trifluoromethyl)phenyl]thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H15F3N2O4S MolecularWeight: 412.38291

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=CC(=C2)C(F)(F)F)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=CC(=C2)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C18H15F3N2O4S/c1-26-15(24)10-6-11(16(25)27-2)8-14(7-10)23-17(28)22-13-5-3-4-12(9-13)18(19,20)21/h3-9H,1-2H3,(H2,22,23,28)