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

Systemtic Name: N-(1-adamantyl)-2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]acetamide Formula: C28H31N3O2S MolecularWeight: 473.62964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H31N3O2S/c1-18-6-8-19(9-7-18)16-31-26(33)23-4-2-3-5-24(23)29-27(31)34-17-25(32)30-28-13-20-10-21(14-28)12-22(11-20)15-28/h2-9,20-22H,10-17H2,1H3,(H,30,32)