dimethyl 5-(propanoylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(propanoylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(propanoylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(propanoylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(propionylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC

InChI

InChI=1S/C14H16N2O5S/c1-4-11(17)16-14(22)15-10-6-8(12(18)20-2)5-9(7-10)13(19)21-3/h5-7H,4H2,1-3H3,(H2,15,16,17,22)