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

Systemtic Name: N'-(1,3-benzodioxol-5-ylcarbonyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide Openeye Name: 3-allyl-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-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide IUPAC Name: N'-(1,3-benzodioxole-5-carbonyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide Traditional Name: 3-allyl-4-keto-N'-piperonyloyl-2-thioxo-1H-quinazoline-7-carbohydrazide Formula: C20H16N4O5S MolecularWeight: 424.42984

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NNC(=O)C3=CC4=C(C=C3)OCO4)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NNC(=O)C3=CC4=C(C=C3)OCO4)NC1=S

InChI

InChI=1S/C20H16N4O5S/c1-2-7-24-19(27)13-5-3-11(8-14(13)21-20(24)30)17(25)22-23-18(26)12-4-6-15-16(9-12)29-10-28-15/h2-6,8-9H,1,7,10H2,(H,21,30)(H,22,25)(H,23,26)