N-(1-adamantyl)-2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[3-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[3-[2-(cyclohexen-1-yl)ethyl]-4-keto-quinazolin-2-yl]thio]acetamide Formula: C28H35N3O2S MolecularWeight: 477.6614

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H35N3O2S/c32-25(30-28-15-20-12-21(16-28)14-22(13-20)17-28)18-34-27-29-24-9-5-4-8-23(24)26(33)31(27)11-10-19-6-2-1-3-7-19/h4-6,8-9,20-22H,1-3,7,10-18H2,(H,30,32)