N'-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carbohydrazide

Systemtic Name: N'-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carbohydrazide Openeye Name: N'-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carbohydrazide CAS Name: N'-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbohydrazide IUPAC Name: N'-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbohydrazide Traditional Name: N'-[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]-3-ethyl-4-keto-2-thioxo-1H-quinazoline-7-carbohydrazide Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NNC(=O)C3COC4=CC=CC=C4O3)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NNC(=O)[C@H]3COC4=CC=CC=C4O3)NC1=S

InChI

InChI=1S/C20H18N4O5S/c1-2-24-19(27)12-8-7-11(9-13(12)21-20(24)30)17(25)22-23-18(26)16-10-28-14-5-3-4-6-15(14)29-16/h3-9,16H,2,10H2,1H3,(H,21,30)(H,22,25)(H,23,26)/t16-/m1/s1