N-(1-adamantyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[(4-keto-3-methyl-quinazolin-2-yl)thio]acetamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-24-19(26)16-4-2-3-5-17(16)22-20(24)27-12-18(25)23-21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,13-15H,6-12H2,1H3,(H,23,25)