N-(2-cyano-3-methyl-butan-2-yl)-2-[3-(2,5-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[3-(2,5-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[3-(2,5-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[3-(2,5-dimethoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[3-(2,5-dimethoxyphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C24H26N4O4S/c1-15(2)24(3,14-25)27-21(29)13-33-23-26-18-9-7-6-8-17(18)22(30)28(23)19-12-16(31-4)10-11-20(19)32-5/h6-12,15H,13H2,1-5H3,(H,27,29)