N-(1-adamantylcarbamoyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H32N4O3S/c1-15(2)13-29-22(31)19-5-3-4-6-20(19)26-24(29)33-14-21(30)27-23(32)28-25-10-16-7-17(11-25)9-18(8-16)12-25/h3-6,15-18H,7-14H2,1-2H3,(H2,27,28,30,32)