N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(p-tolyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[[2-(4-methylphenyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(p-tolyl)quinazolin-4-yl]thio]acetamide Formula: C25H27N3OS MolecularWeight: 417.56638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)SCC(=O)NCCC4=CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)SCC(=O)NCCC4=CCCCC4

InChI

InChI=1S/C25H27N3OS/c1-18-11-13-20(14-12-18)24-27-22-10-6-5-9-21(22)25(28-24)30-17-23(29)26-16-15-19-7-3-2-4-8-19/h5-7,9-14H,2-4,8,15-17H2,1H3,(H,26,29)