N-(1-adamantyl)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]acetamide Formula: C23H26ClN3O2S MolecularWeight: 443.98944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3O2S/c1-2-5-27-21(29)18-9-17(24)3-4-19(18)25-22(27)30-13-20(28)26-23-10-14-6-15(11-23)8-16(7-14)12-23/h2-4,9,14-16H,1,5-8,10-13H2,(H,26,28)