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

Systemtic Name: N-(1-adamantyl)-2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C25H32ClN3O2S MolecularWeight: 474.05848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H32ClN3O2S/c1-15(2)5-6-29-23(31)20-4-3-19(26)10-21(20)27-24(29)32-14-22(30)28-25-11-16-7-17(12-25)9-18(8-16)13-25/h3-4,10,15-18H,5-9,11-14H2,1-2H3,(H,28,30)