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

Systemtic Name: dimethyl 5-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(piperonylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C19H18N2O6S/c1-24-17(22)12-6-13(18(23)25-2)8-14(7-12)21-19(28)20-9-11-3-4-15-16(5-11)27-10-26-15/h3-8H,9-10H2,1-2H3,(H2,20,21,28)