N-(1-adamantylcarbamoyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(3-allyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H28N4O3S/c1-2-7-28-21(30)18-5-3-4-6-19(18)25-23(28)32-14-20(29)26-22(31)27-24-11-15-8-16(12-24)10-17(9-15)13-24/h2-6,15-17H,1,7-14H2,(H2,26,27,29,31)