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

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(3-butyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(3-butyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C23H23N3O5S MolecularWeight: 453.51082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3C(=O)C)OCO4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3C(=O)C)OCO4

InChI

InChI=1S/C23H23N3O5S/c1-3-4-9-26-22(29)15-7-5-6-8-17(15)25-23(26)32-12-21(28)24-18-11-20-19(30-13-31-20)10-16(18)14(2)27/h5-8,10-11H,3-4,9,12-13H2,1-2H3,(H,24,28)