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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(4-oxo-3-sec-butyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(4-keto-3-sec-butyl-quinazolin-2-yl)thio]acetamide Formula: C25H32N4O3S MolecularWeight: 468.61158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H32N4O3S/c1-3-15(2)29-22(31)19-6-4-5-7-20(19)26-24(29)33-14-21(30)27-23(32)28-25-11-16-8-17(12-25)10-18(9-16)13-25/h4-7,15-18H,3,8-14H2,1-2H3,(H2,27,28,30,32)