methyl 4-[[ethoxycarbonylcarbamothioyl-[4-(trifluoromethyloxy)phenyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[ethoxycarbonylcarbamothioyl-[4-(trifluoromethyloxy)phenyl]amino]methyl]benzoate Openeye Name: methyl 4-[[N-(ethoxycarbonylcarbamothioyl)-4-(trifluoromethoxy)anilino]methyl]benzoate CAS Name: 4-[[N-[(ethoxycarbonylamino)-sulfanylidenemethyl]-4-(trifluoromethoxy)anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[N-(ethoxycarbonylcarbamothioyl)-4-(trifluoromethoxy)anilino]methyl]benzoate Traditional Name: 4-[[N-(carbethoxythiocarbamoyl)-4-(trifluoromethoxy)anilino]methyl]benzoic acid methyl ester Formula: C20H19F3N2O5S MolecularWeight: 456.43547

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)N(CC1=CC=C(C=C1)C(=O)OC)C2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CCOC(=O)NC(=S)N(CC1=CC=C(C=C1)C(=O)OC)C2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C20H19F3N2O5S/c1-3-29-19(27)24-18(31)25(12-13-4-6-14(7-5-13)17(26)28-2)15-8-10-16(11-9-15)30-20(21,22)23/h4-11H,3,12H2,1-2H3,(H,24,27,31)