N-(2-ethyl-6-methyl-phenyl)-2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[(2-phenyl-4-benzo[h]quinazolinyl)thio]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanylacetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[(2-phenylbenzo[h]quinazolin-4-yl)thio]acetamide Formula: C29H25N3OS MolecularWeight: 463.5933

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NC(=NC3=C2C=CC4=CC=CC=C43)C5=CC=CC=C5)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NC(=NC3=C2C=CC4=CC=CC=C43)C5=CC=CC=C5)C

InChI

InChI=1S/C29H25N3OS/c1-3-20-14-9-10-19(2)26(20)30-25(33)18-34-29-24-17-16-21-11-7-8-15-23(21)27(24)31-28(32-29)22-12-5-4-6-13-22/h4-17H,3,18H2,1-2H3,(H,30,33)