ethyl 3-[[2-fluoranyl-4-(trifluoromethyl)phenyl]methylcarbamothioylamino]benzoate

Systemtic Name: ethyl 3-[[2-fluoranyl-4-(trifluoromethyl)phenyl]methylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[[2-fluoro-4-(trifluoromethyl)phenyl]methylcarbamothioylamino]benzoate CAS Name: 3-[[[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-fluoro-4-(trifluoromethyl)phenyl]methylcarbamothioylamino]benzoate Traditional Name: 3-[[2-fluoro-4-(trifluoromethyl)benzyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H16F4N2O2S MolecularWeight: 400.390453

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16F4N2O2S/c1-2-26-16(25)11-4-3-5-14(8-11)24-17(27)23-10-12-6-7-13(9-15(12)19)18(20,21)22/h3-9H,2,10H2,1H3,(H2,23,24,27)