methyl 3-[[3-(trifluoromethyl)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[3-(trifluoromethyl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[3-(trifluoromethyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[oxo-[[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(trifluoromethyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[3-(trifluoromethyl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C17H13F3N2O3S MolecularWeight: 382.35693

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13F3N2O3S/c1-25-15(24)11-5-2-4-10(8-11)14(23)22-16(26)21-13-7-3-6-12(9-13)17(18,19)20/h2-9H,1H3,(H2,21,22,23,26)