methyl 4,5-dimethoxy-2-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzoate CAS Name: 4,5-dimethoxy-2-[[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzoate Traditional Name: 4,5-dimethoxy-2-[[3-(trifluoromethyl)phenyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C18H17F3N2O4S MolecularWeight: 414.39879

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NC2=CC=CC(=C2)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NC2=CC=CC(=C2)C(F)(F)F)OC

InChI

InChI=1S/C18H17F3N2O4S/c1-25-14-8-12(16(24)27-3)13(9-15(14)26-2)23-17(28)22-11-6-4-5-10(7-11)18(19,20)21/h4-9H,1-3H3,(H2,22,23,28)