dimethyl 5-[(4-fluorophenyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-fluorophenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-fluorophenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(4-fluoroanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-fluorophenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-fluorophenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H15FN2O4S MolecularWeight: 362.375403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15FN2O4S/c1-23-15(21)10-7-11(16(22)24-2)9-14(8-10)20-17(25)19-13-5-3-12(18)4-6-13/h3-9H,1-2H3,(H2,19,20,25)