ethyl 3-[[3-(trifluoromethyloxy)phenyl]methylcarbamothioylamino]benzoate

Systemtic Name: ethyl 3-[[3-(trifluoromethyloxy)phenyl]methylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[[3-(trifluoromethoxy)phenyl]methylcarbamothioylamino]benzoate CAS Name: 3-[[sulfanylidene-[[3-(trifluoromethoxy)phenyl]methylamino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[3-(trifluoromethoxy)phenyl]methylcarbamothioylamino]benzoate Traditional Name: 3-[[3-(trifluoromethoxy)benzyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H17F3N2O3S MolecularWeight: 398.39939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17F3N2O3S/c1-2-25-16(24)13-6-4-7-14(10-13)23-17(27)22-11-12-5-3-8-15(9-12)26-18(19,20)21/h3-10H,2,11H2,1H3,(H2,22,23,27)