N-(1-adamantyl)-2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-(7-chloro-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[(7-chloro-4-oxo-3-propyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[(7-chloro-4-keto-3-propyl-quinazolin-2-yl)thio]acetamide Formula: C23H28ClN3O2S MolecularWeight: 446.00532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H28ClN3O2S/c1-2-5-27-21(29)18-4-3-17(24)9-19(18)25-22(27)30-13-20(28)26-23-10-14-6-15(11-23)8-16(7-14)12-23/h3-4,9,14-16H,2,5-8,10-13H2,1H3,(H,26,28)