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

Systemtic Name: N-(1-adamantyl)-2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[(3-butyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[(3-butyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H31N3O2S/c1-2-3-8-27-22(29)19-6-4-5-7-20(19)25-23(27)30-15-21(28)26-24-12-16-9-17(13-24)11-18(10-16)14-24/h4-7,16-18H,2-3,8-15H2,1H3,(H,26,28)