N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide Formula: C21H18BrN3O4S MolecularWeight: 488.35432

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C21H18BrN3O4S/c1-2-7-25-20(27)13-5-3-4-6-15(13)24-21(25)30-12-19(26)23-16-11-18-17(10-14(16)22)28-8-9-29-18/h2-6,10-11H,1,7-9,12H2,(H,23,26)