2-(7-chloranyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)ethanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)ethanamide Openeye Name: 2-(7-chloro-4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)acetamide CAS Name: 2-[(7-chloro-4-oxo-3-phenyl-2-quinazolinyl)thio]-N-(1-cyanocyclohexyl)acetamide IUPAC Name: 2-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)acetamide Traditional Name: 2-[(7-chloro-4-keto-3-phenyl-quinazolin-2-yl)thio]-N-(1-cyanocyclohexyl)acetamide Formula: C23H21ClN4O2S MolecularWeight: 452.95644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C23H21ClN4O2S/c24-16-9-10-18-19(13-16)26-22(28(21(18)30)17-7-3-1-4-8-17)31-14-20(29)27-23(15-25)11-5-2-6-12-23/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,27,29)