N-[[(6-oxidanylidene-1H-pyridazin-3-yl)carbonylamino]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[(6-oxidanylidene-1H-pyridazin-3-yl)carbonylamino]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[[oxo-(6-oxo-1H-pyridazin-3-yl)methyl]hydrazo]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[(6-keto-1H-pyridazine-3-carbonyl)amino]thiocarbamoyl]-piperonylamide Formula: C14H11N5O5S MolecularWeight: 361.33264

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NNC(=O)C3=NNC(=O)C=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NNC(=O)C3=NNC(=O)C=C3

InChI

InChI=1S/C14H11N5O5S/c20-11-4-2-8(16-17-11)13(22)18-19-14(25)15-12(21)7-1-3-9-10(5-7)24-6-23-9/h1-5H,6H2,(H,17,20)(H,18,22)(H2,15,19,21,25)