N-(1-adamantyl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C26H35N3O2S MolecularWeight: 453.64

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H35N3O2S/c1-2-3-4-7-10-29-24(31)21-8-5-6-9-22(21)27-25(29)32-17-23(30)28-26-14-18-11-19(15-26)13-20(12-18)16-26/h5-6,8-9,18-20H,2-4,7,10-17H2,1H3,(H,28,30)