N-(3-methylbutyl)-2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-methylbutyl)-2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-isopentyl-2-[2-(p-tolyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(3-methylbutyl)-2-[[2-(4-methylphenyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(3-methylbutyl)-2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-isoamyl-2-[[2-(p-tolyl)quinazolin-4-yl]thio]acetamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3OS/c1-15(2)12-13-23-20(26)14-27-22-18-6-4-5-7-19(18)24-21(25-22)17-10-8-16(3)9-11-17/h4-11,15H,12-14H2,1-3H3,(H,23,26)