N-(1-adamantyl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-hexanamide

Systemtic Name: N-(1-adamantyl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-hexanamide Openeye Name: N-(1-adamantyl)-2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-hexanamide CAS Name: N-(1-adamantyl)-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]hexanamide IUPAC Name: N-(1-adamantyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylhexanamide Traditional Name: N-(1-adamantyl)-2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]hexanamide Formula: C30H35N3O2S MolecularWeight: 501.6828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5C(=O)N4C6=CC=CC=C6

Isomeric SMILES

CCCCC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5C(=O)N4C6=CC=CC=C6

InChI

InChI=1S/C30H35N3O2S/c1-2-3-13-26(27(34)32-30-17-20-14-21(18-30)16-22(15-20)19-30)36-29-31-25-12-8-7-11-24(25)28(35)33(29)23-9-5-4-6-10-23/h4-12,20-22,26H,2-3,13-19H2,1H3,(H,32,34)