5-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide

Systemtic Name: 5-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide Openeye Name: 5-(1,3-benzodioxole-5-carbonylcarbamothioylamino)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide CAS Name: 5-[[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-1-(4-sulfamoylphenyl)-4-pyrazolecarboxamide IUPAC Name: 5-(1,3-benzodioxole-5-carbonylcarbamothioylamino)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide Traditional Name: 5-(piperonyloylthiocarbamoylamino)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide Formula: C19H16N6O6S2 MolecularWeight: 488.49694

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=C(C=NN3C4=CC=C(C=C4)S(=O)(=O)N)C(=O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=C(C=NN3C4=CC=C(C=C4)S(=O)(=O)N)C(=O)N

InChI

InChI=1S/C19H16N6O6S2/c20-16(26)13-8-22-25(11-2-4-12(5-3-11)33(21,28)29)17(13)23-19(32)24-18(27)10-1-6-14-15(7-10)31-9-30-14/h1-8H,9H2,(H2,20,26)(H2,21,28,29)(H2,23,24,27,32)