diethyl 5-(1,3-benzodioxol-5-ylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-(1,3-benzodioxol-5-ylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: diethyl 5-(1,3-benzodioxol-5-ylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(1,3-benzodioxol-5-ylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(1,3-benzodioxol-5-ylthiocarbamoylamino)benzene-1,3-dicarboxylic acid diethyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC3=C(C=C2)OCO3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC3=C(C=C2)OCO3)C(=O)OCC

InChI

InChI=1S/C20H20N2O6S/c1-3-25-18(23)12-7-13(19(24)26-4-2)9-15(8-12)22-20(29)21-14-5-6-16-17(10-14)28-11-27-16/h5-10H,3-4,11H2,1-2H3,(H2,21,22,29)