dipropan-2-yl 5-(1,3-benzodioxol-5-ylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: dipropan-2-yl 5-(1,3-benzodioxol-5-ylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: diisopropyl 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 dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-(1,3-benzodioxol-5-ylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(1,3-benzodioxol-5-ylthiocarbamoylamino)benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O6S/c1-12(2)29-20(25)14-7-15(21(26)30-13(3)4)9-17(8-14)24-22(31)23-16-5-6-18-19(10-16)28-11-27-18/h5-10,12-13H,11H2,1-4H3,(H2,23,24,31)