N-(2,5-dimethoxyphenyl)-2-[2-(4-methylphenyl)benzo[h]quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-[2-(4-methylphenyl)benzo[h]quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(2,5-dimethoxyphenyl)-2-[2-(p-tolyl)benzo[h]quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(2,5-dimethoxyphenyl)-2-[[2-(4-methylphenyl)-4-benzo[h]quinazolinyl]thio]acetamide IUPAC Name: N-(2,5-dimethoxyphenyl)-2-[2-(4-methylphenyl)benzo[h]quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(2,5-dimethoxyphenyl)-2-[[2-(p-tolyl)benzo[h]quinazolin-4-yl]thio]acetamide Formula: C29H25N3O3S MolecularWeight: 495.5921

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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=C(C=CC(=C5)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H25N3O3S/c1-18-8-10-20(11-9-18)28-31-27-22-7-5-4-6-19(22)12-14-23(27)29(32-28)36-17-26(33)30-24-16-21(34-2)13-15-25(24)35-3/h4-16H,17H2,1-3H3,(H,30,33)