1-(azepan-1-yl)-2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[2-(p-tolyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[2-(4-methylphenyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[2-(p-tolyl)quinazolin-4-yl]thio]ethanone Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)SCC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)SCC(=O)N4CCCCCC4

InChI

InChI=1S/C23H25N3OS/c1-17-10-12-18(13-11-17)22-24-20-9-5-4-8-19(20)23(25-22)28-16-21(27)26-14-6-2-3-7-15-26/h4-5,8-13H,2-3,6-7,14-16H2,1H3