ethyl 4-[(4-bromanyl-2-fluoranyl-phenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-bromanyl-2-fluoranyl-phenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(4-bromo-2-fluoro-phenyl)carbamothioylamino]benzoate CAS Name: 4-[[(4-bromo-2-fluoroanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-bromo-2-fluorophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-bromo-2-fluoro-phenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C16H14BrFN2O2S MolecularWeight: 397.261963

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)Br)F

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrFN2O2S/c1-2-22-15(21)10-3-6-12(7-4-10)19-16(23)20-14-8-5-11(17)9-13(14)18/h3-9H,2H2,1H3,(H2,19,20,23)