2-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-N-(2-cyano-3-methyl-butan-2-yl)ethanamide

Systemtic Name: 2-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-N-(2-cyano-3-methyl-butan-2-yl)ethanamide Openeye Name: 2-(3-benzyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(1-cyano-1,2-dimethyl-propyl)acetamide CAS Name: 2-[[7-chloro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]-N-(2-cyano-3-methylbutan-2-yl)acetamide IUPAC Name: 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)acetamide Traditional Name: 2-[(3-benzyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(1-cyano-1,2-dimethyl-propyl)acetamide Formula: C23H23ClN4O2S MolecularWeight: 454.97232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C23H23ClN4O2S/c1-15(2)23(3,14-25)27-20(29)13-31-22-26-19-11-17(24)9-10-18(19)21(30)28(22)12-16-7-5-4-6-8-16/h4-11,15H,12-13H2,1-3H3,(H,27,29)