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

Systemtic Name: methyl 3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzoate Openeye Name: methyl 3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzoate CAS Name: 3-[[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzoate Traditional Name: 3-[[3-(trifluoromethyl)phenyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C16H13F3N2O2S MolecularWeight: 354.34683

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H13F3N2O2S/c1-23-14(22)10-4-2-6-12(8-10)20-15(24)21-13-7-3-5-11(9-13)16(17,18)19/h2-9H,1H3,(H2,20,21,24)