N'-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide

Systemtic Name: N'-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide Openeye Name: 3-allyl-N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-oxo-2-thioxo-1H-quinazoline-7-carbohydrazide CAS Name: N'-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide IUPAC Name: N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide Traditional Name: 3-allyl-N'-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)-4-keto-2-thioxo-1H-quinazoline-7-carbohydrazide Formula: C21H18N4O5S MolecularWeight: 438.45642

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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)OCCO4)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NNC(=O)C3=CC4=C(C=C3)OCCO4)NC1=S

InChI

InChI=1S/C21H18N4O5S/c1-2-7-25-20(28)14-5-3-12(10-15(14)22-21(25)31)18(26)23-24-19(27)13-4-6-16-17(11-13)30-9-8-29-16/h2-6,10-11H,1,7-9H2,(H,22,31)(H,23,26)(H,24,27)