N-(1,3-benzodioxol-5-yl)-2-(7-chloranyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(7-chloranyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(7-chloro-4-oxo-3-pentyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(7-chloro-4-oxo-3-pentyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-amyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22ClN3O4S/c1-2-3-4-9-26-21(28)16-7-5-14(23)10-17(16)25-22(26)31-12-20(27)24-15-6-8-18-19(11-15)30-13-29-18/h5-8,10-11H,2-4,9,12-13H2,1H3,(H,24,27)