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

Systemtic Name: dimethyl 2-[[2-(trifluoromethyl)phenyl]carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(trifluoromethyl)phenyl]carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[sulfanylidene-[2-(trifluoromethyl)anilino]methyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(trifluoromethyl)phenyl]carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(trifluoromethyl)phenyl]thiocarbamoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C18H15F3N2O4S MolecularWeight: 412.38291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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