2-(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)ethanamide

Systemtic Name: 2-(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)ethanamide Openeye Name: 2-(7-chloro-3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(1,1-dimethylpropyl)acetamide CAS Name: 2-[(7-chloro-3-cyclohexyl-4-oxo-2-quinazolinyl)thio]-N-(2-methylbutan-2-yl)acetamide IUPAC Name: 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide Traditional Name: N-tert-amyl-2-[(7-chloro-3-cyclohexyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H28ClN3O2S MolecularWeight: 421.98392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3CCCCC3

Isomeric SMILES

CCC(C)(C)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3CCCCC3

InChI

InChI=1S/C21H28ClN3O2S/c1-4-21(2,3)24-18(26)13-28-20-23-17-12-14(22)10-11-16(17)19(27)25(20)15-8-6-5-7-9-15/h10-12,15H,4-9,13H2,1-3H3,(H,24,26)