2-(6-iodanyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanamide

Systemtic Name: 2-(6-iodanyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanamide Openeye Name: 2-(3-allyl-6-iodo-4-oxo-quinazolin-2-yl)sulfanylacetamide CAS Name: 2-[(6-iodo-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: 2-(6-iodo-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-6-iodo-4-keto-quinazolin-2-yl)thio]acetamide Formula: C13H12IN3O2S MolecularWeight: 401.22275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=CC(=C2)I)N=C1SCC(=O)N

Isomeric SMILES

C=CCN1C(=O)C2=C(C=CC(=C2)I)N=C1SCC(=O)N

InChI

InChI=1S/C13H12IN3O2S/c1-2-5-17-12(19)9-6-8(14)3-4-10(9)16-13(17)20-7-11(15)18/h2-4,6H,1,5,7H2,(H2,15,18)