N-(4-ethanoylphenyl)-2-[2-(4-methylphenyl)benzo[h]quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-[2-(4-methylphenyl)benzo[h]quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(4-acetylphenyl)-2-[2-(p-tolyl)benzo[h]quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(4-acetylphenyl)-2-[[2-(4-methylphenyl)-4-benzo[h]quinazolinyl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[2-(4-methylphenyl)benzo[h]quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(4-acetylphenyl)-2-[[2-(p-tolyl)benzo[h]quinazolin-4-yl]thio]acetamide Formula: C29H23N3O2S MolecularWeight: 477.57682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=CC4=CC=CC=C43)C(=N2)SCC(=O)NC5=CC=C(C=C5)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=CC4=CC=CC=C43)C(=N2)SCC(=O)NC5=CC=C(C=C5)C(=O)C

InChI

InChI=1S/C29H23N3O2S/c1-18-7-9-22(10-8-18)28-31-27-24-6-4-3-5-21(24)13-16-25(27)29(32-28)35-17-26(34)30-23-14-11-20(12-15-23)19(2)33/h3-16H,17H2,1-2H3,(H,30,34)