dimethyl 5-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(1,3-benzodioxole-5-carbonylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(1,3-benzodioxole-5-carbonylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(piperonyloylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H16N2O7S MolecularWeight: 416.40454

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C19H16N2O7S/c1-25-17(23)11-5-12(18(24)26-2)7-13(6-11)20-19(29)21-16(22)10-3-4-14-15(8-10)28-9-27-14/h3-8H,9H2,1-2H3,(H2,20,21,22,29)