N'-(1,3-benzodioxol-5-ylcarbonyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carbohydrazide

Systemtic Name: N'-(1,3-benzodioxol-5-ylcarbonyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carbohydrazide Openeye Name: N'-(1,3-benzodioxole-5-carbonyl)-4-oxo-2-thioxo-1H-quinazoline-7-carbohydrazide CAS Name: N'-[1,3-benzodioxol-5-yl(oxo)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbohydrazide IUPAC Name: N'-(1,3-benzodioxole-5-carbonyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbohydrazide Traditional Name: 4-keto-N'-piperonyloyl-2-thioxo-1H-quinazoline-7-carbohydrazide Formula: C17H12N4O5S MolecularWeight: 384.36598

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NNC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NNC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

InChI

InChI=1S/C17H12N4O5S/c22-14(8-1-3-10-11(5-8)18-17(27)19-16(10)24)20-21-15(23)9-2-4-12-13(6-9)26-7-25-12/h1-6H,7H2,(H,20,22)(H,21,23)(H2,18,19,24,27)