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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]acetamide Formula: C24H27ClN4O3S MolecularWeight: 487.01418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27ClN4O3S/c1-2-5-29-21(31)18-9-17(25)3-4-19(18)26-23(29)33-13-20(30)27-22(32)28-24-10-14-6-15(11-24)8-16(7-14)12-24/h2-4,9,14-16H,1,5-8,10-13H2,(H2,27,28,30,32)