N-(3-ethanoylphenyl)-2-[6-ethyl-2-(3-methylphenyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-ethanoylphenyl)-2-[6-ethyl-2-(3-methylphenyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(3-acetylphenyl)-2-[6-ethyl-2-(m-tolyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(3-acetylphenyl)-2-[[6-ethyl-2-(3-methylphenyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[6-ethyl-2-(3-methylphenyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(3-acetylphenyl)-2-[[6-ethyl-2-(m-tolyl)quinazolin-4-yl]thio]acetamide Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NC3=CC=CC(=C3)C(=O)C)C4=CC(=CC=C4)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NC3=CC=CC(=C3)C(=O)C)C4=CC(=CC=C4)C

InChI

InChI=1S/C27H25N3O2S/c1-4-19-11-12-24-23(14-19)27(30-26(29-24)21-9-5-7-17(2)13-21)33-16-25(32)28-22-10-6-8-20(15-22)18(3)31/h5-15H,4,16H2,1-3H3,(H,28,32)