N-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)acetamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-oxomethyl]-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)acetamide Formula: C23H22N4O5S MolecularWeight: 466.50958

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NCC3COC4=CC=CC=C4O3

InChI

InChI=1S/C23H22N4O5S/c1-2-11-27-21(29)16-7-3-4-8-17(16)25-23(27)33-14-20(28)26-22(30)24-12-15-13-31-18-9-5-6-10-19(18)32-15/h2-10,15H,1,11-14H2,(H2,24,26,28,30)