methyl 4-[[3-(trifluoromethyloxy)phenyl]methylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[[3-(trifluoromethyloxy)phenyl]methylcarbamothioylamino]benzoate Openeye Name: methyl 4-[[3-(trifluoromethoxy)phenyl]methylcarbamothioylamino]benzoate CAS Name: 4-[[sulfanylidene-[[3-(trifluoromethoxy)phenyl]methylamino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(trifluoromethoxy)phenyl]methylcarbamothioylamino]benzoate Traditional Name: 4-[[3-(trifluoromethoxy)benzyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C17H15F3N2O3S MolecularWeight: 384.37281

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC(=CC=C2)OC(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC(=CC=C2)OC(F)(F)F

InChI

InChI=1S/C17H15F3N2O3S/c1-24-15(23)12-5-7-13(8-6-12)22-16(26)21-10-11-3-2-4-14(9-11)25-17(18,19)20/h2-9H,10H2,1H3,(H2,21,22,26)