dimethyl 5-[2-(4-fluorophenyl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-fluorophenyl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(4-fluorophenyl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[2-(4-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(4-fluorophenyl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-(4-fluorophenyl)ethylthiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H19FN2O4S MolecularWeight: 390.428563

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NCCC2=CC=C(C=C2)F)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NCCC2=CC=C(C=C2)F)C(=O)OC

InChI

InChI=1S/C19H19FN2O4S/c1-25-17(23)13-9-14(18(24)26-2)11-16(10-13)22-19(27)21-8-7-12-3-5-15(20)6-4-12/h3-6,9-11H,7-8H2,1-2H3,(H2,21,22,27)