ethyl 4-[(2-fluorophenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(2-fluorophenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(2-fluorophenyl)carbamothioylamino]benzoate CAS Name: 4-[[(2-fluoroanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-fluorophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-fluorophenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C16H15FN2O2S MolecularWeight: 318.365903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2F

InChI

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