N-(2-ethyl-6-methyl-phenyl)-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[2-(phenoxymethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[[2-(phenoxymethyl)quinazolin-4-yl]thio]acetamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NC(=NC3=CC=CC=C32)COC4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NC(=NC3=CC=CC=C32)COC4=CC=CC=C4)C

InChI

InChI=1S/C26H25N3O2S/c1-3-19-11-9-10-18(2)25(19)29-24(30)17-32-26-21-14-7-8-15-22(21)27-23(28-26)16-31-20-12-5-4-6-13-20/h4-15H,3,16-17H2,1-2H3,(H,29,30)