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

Systemtic Name: N-butyl-2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-butyl-2-[2-(p-tolyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-butyl-2-[[2-(4-methylphenyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-butyl-2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-butyl-2-[[2-(p-tolyl)quinazolin-4-yl]thio]acetamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCNC(=O)CSC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H23N3OS/c1-3-4-13-22-19(25)14-26-21-17-7-5-6-8-18(17)23-20(24-21)16-11-9-15(2)10-12-16/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)