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

Systemtic Name: methyl 3-[(4-fluorophenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(4-fluorophenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[(4-fluoroanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-fluorophenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(4-fluorophenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C16H13FN2O3S MolecularWeight: 332.349423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13FN2O3S/c1-22-15(21)11-4-2-3-10(9-11)14(20)19-16(23)18-13-7-5-12(17)6-8-13/h2-9H,1H3,(H2,18,19,20,23)