N-(1-adamantyl)-2-(6-chloranyl-2-phenyl-quinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-(6-chloranyl-2-phenyl-quinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-(6-chloro-2-phenyl-quinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[(6-chloro-2-phenyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-(6-chloro-2-phenylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[(6-chloro-2-phenyl-quinazolin-4-yl)thio]acetamide Formula: C26H26ClN3OS MolecularWeight: 464.02214

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC(=NC5=C4C=C(C=C5)Cl)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC(=NC5=C4C=C(C=C5)Cl)C6=CC=CC=C6

InChI

InChI=1S/C26H26ClN3OS/c27-20-6-7-22-21(11-20)25(29-24(28-22)19-4-2-1-3-5-19)32-15-23(31)30-26-12-16-8-17(13-26)10-18(9-16)14-26/h1-7,11,16-18H,8-10,12-15H2,(H,30,31)