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

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2,5-dimethoxyphenyl)-2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(2,5-dimethoxyphenyl)-2-[(2-phenyl-4-benzo[h]quinazolinyl)thio]acetamide IUPAC Name: N-(2,5-dimethoxyphenyl)-2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanylacetamide Traditional Name: N-(2,5-dimethoxyphenyl)-2-[(2-phenylbenzo[h]quinazolin-4-yl)thio]acetamide Formula: C28H23N3O3S MolecularWeight: 481.56552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC(=NC3=C2C=CC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC(=NC3=C2C=CC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H23N3O3S/c1-33-20-13-15-24(34-2)23(16-20)29-25(32)17-35-28-22-14-12-18-8-6-7-11-21(18)26(22)30-27(31-28)19-9-4-3-5-10-19/h3-16H,17H2,1-2H3,(H,29,32)