ethyl 3-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 3-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]benzoate Openeye Name: ethyl 3-[(3-fluoro-4-methyl-phenyl)carbamothioylamino]benzoate CAS Name: 3-[[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(3-fluoro-4-methylphenyl)carbamothioylamino]benzoate Traditional Name: 3-[(3-fluoro-4-methyl-phenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H17FN2O2S MolecularWeight: 332.392483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN2O2S/c1-3-22-16(21)12-5-4-6-13(9-12)19-17(23)20-14-8-7-11(2)15(18)10-14/h4-10H,3H2,1-2H3,(H2,19,20,23)