N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(3-allyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C22H19N3O5S MolecularWeight: 437.46836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC=C)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC=C)OCO2

InChI

InChI=1S/C22H19N3O5S/c1-3-8-25-21(28)14-6-4-5-7-16(14)24-22(25)31-11-20(27)23-17-10-19-18(29-12-30-19)9-15(17)13(2)26/h3-7,9-10H,1,8,11-12H2,2H3,(H,23,27)