2-[3-(2,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-ethanoylphenyl)ethanamide

Systemtic Name: 2-[3-(2,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[3-(2,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-acetylphenyl)-2-[[3-(2,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-acetylphenyl)-2-[[3-(2,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C26H23N3O3S/c1-16-8-9-17(2)23(14-16)29-25(32)21-6-4-5-7-22(21)28-26(29)33-15-24(31)27-20-12-10-19(11-13-20)18(3)30/h4-14H,15H2,1-3H3,(H,27,31)