N-(1-adamantyl)-2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C22H26BrN3O2S MolecularWeight: 476.42974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O2S/c1-2-26-20(28)17-8-16(23)3-4-18(17)24-21(26)29-12-19(27)25-22-9-13-5-14(10-22)7-15(6-13)11-22/h3-4,8,13-15H,2,5-7,9-12H2,1H3,(H,25,27)