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

Systemtic Name: N-(1-adamantyl)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H31N3O2S/c29-22(27-25-12-16-9-17(13-25)11-18(10-16)14-25)15-31-24-26-21-8-4-3-7-20(21)23(30)28(24)19-5-1-2-6-19/h3-4,7-8,16-19H,1-2,5-6,9-15H2,(H,27,29)