methyl 4-[[carbamothioyl-[4-(trifluoromethyl)phenyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[carbamothioyl-[4-(trifluoromethyl)phenyl]amino]methyl]benzoate Openeye Name: methyl 4-[[N-carbamothioyl-4-(trifluoromethyl)anilino]methyl]benzoate CAS Name: 4-[[N-carbamothioyl-4-(trifluoromethyl)anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[N-carbamothioyl-4-(trifluoromethyl)anilino]methyl]benzoate Traditional Name: 4-[[N-thiocarbamoyl-4-(trifluoromethyl)anilino]methyl]benzoic acid methyl ester Formula: C17H15F3N2O2S MolecularWeight: 368.37341

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(F)(F)F)C(=S)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(F)(F)F)C(=S)N

InChI

InChI=1S/C17H15F3N2O2S/c1-24-15(23)12-4-2-11(3-5-12)10-22(16(21)25)14-8-6-13(7-9-14)17(18,19)20/h2-9H,10H2,1H3,(H2,21,25)