N-(2-cyano-3-methyl-butan-2-yl)-2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]propionamide Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)OC

InChI

InChI=1S/C24H26N4O3S/c1-15(2)24(4,14-25)27-21(29)16(3)32-23-26-20-12-7-6-11-19(20)22(30)28(23)17-9-8-10-18(13-17)31-5/h6-13,15-16H,1-5H3,(H,27,29)