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

Systemtic Name: 2-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyano-3-methyl-butan-2-yl)propanamide Openeye Name: 2-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-cyano-1,2-dimethyl-propyl)propanamide CAS Name: 2-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-cyano-3-methylbutan-2-yl)propanamide IUPAC Name: 2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide Traditional Name: 2-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(1-cyano-1,2-dimethyl-propyl)propionamide Formula: C23H23ClN4O2S MolecularWeight: 454.97232

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN4O2S/c1-14(2)23(4,13-25)27-20(29)15(3)31-22-26-19-11-6-5-10-18(19)21(30)28(22)17-9-7-8-16(24)12-17/h5-12,14-15H,1-4H3,(H,27,29)