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

Systemtic Name: methyl 4-[(3-fluorophenyl)carbamothioylamino]benzoate Openeye Name: methyl 4-[(3-fluorophenyl)carbamothioylamino]benzoate CAS Name: 4-[[(3-fluoroanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-fluorophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-fluorophenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C15H13FN2O2S MolecularWeight: 304.339323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13FN2O2S/c1-20-14(19)10-5-7-12(8-6-10)17-15(21)18-13-4-2-3-11(16)9-13/h2-9H,1H3,(H2,17,18,21)