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

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[(4-keto-3-veratryl-quinazolin-2-yl)thio]acetamide Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H28N4O4S/c1-16(2)25(3,15-26)28-22(30)14-34-24-27-19-9-7-6-8-18(19)23(31)29(24)13-17-10-11-20(32-4)21(12-17)33-5/h6-12,16H,13-14H2,1-5H3,(H,28,30)