ethyl 4-[[2,3,4-tris(fluoranyl)phenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[2,3,4-tris(fluoranyl)phenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[(2,3,4-trifluorophenyl)carbamothioylamino]benzoate CAS Name: 4-[[sulfanylidene-(2,3,4-trifluoroanilino)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2,3,4-trifluorophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(2,3,4-trifluorophenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C16H13F3N2O2S MolecularWeight: 354.34683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13F3N2O2S/c1-2-23-15(22)9-3-5-10(6-4-9)20-16(24)21-12-8-7-11(17)13(18)14(12)19/h3-8H,2H2,1H3,(H2,20,21,24)