N-(2-adamantyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-adamantyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-adamantyl)-2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2-adamantyl)-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-adamantyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(2-adamantyl)-2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C23H29N3O2S/c1-13(2)26-22(28)18-5-3-4-6-19(18)24-23(26)29-12-20(27)25-21-16-8-14-7-15(10-16)11-17(21)9-14/h3-6,13-17,21H,7-12H2,1-2H3,(H,25,27)