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

Systemtic Name: N-(1-adamantylmethyl)-2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantylmethyl)-2-(7-chloro-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(1-adamantylmethyl)-2-[(7-chloro-4-oxo-3-propyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantylmethyl)-2-[(7-chloro-4-keto-3-propyl-quinazolin-2-yl)thio]acetamide Formula: C24H30ClN3O2S MolecularWeight: 460.0319

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H30ClN3O2S/c1-2-5-28-22(30)19-4-3-18(25)9-20(19)27-23(28)31-13-21(29)26-14-24-10-15-6-16(11-24)8-17(7-15)12-24/h3-4,9,15-17H,2,5-8,10-14H2,1H3,(H,26,29)