N-(1-adamantyl)-2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[2-(p-tolyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[2-(4-methylphenyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[2-(p-tolyl)quinazolin-4-yl]thio]acetamide Formula: C27H29N3OS MolecularWeight: 443.60366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H29N3OS/c1-17-6-8-21(9-7-17)25-28-23-5-3-2-4-22(23)26(29-25)32-16-24(31)30-27-13-18-10-19(14-27)12-20(11-18)15-27/h2-9,18-20H,10-16H2,1H3,(H,30,31)