ethyl 3-[(4-fluorophenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 3-[(4-fluorophenyl)carbamothioylamino]benzoate Openeye Name: ethyl 3-[(4-fluorophenyl)carbamothioylamino]benzoate CAS Name: 3-[[(4-fluoroanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-fluorophenyl)carbamothioylamino]benzoate Traditional Name: 3-[(4-fluorophenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C16H15FN2O2S MolecularWeight: 318.365903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15FN2O2S/c1-2-21-15(20)11-4-3-5-14(10-11)19-16(22)18-13-8-6-12(17)7-9-13/h3-10H,2H2,1H3,(H2,18,19,22)