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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(C)C)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3CCCCC3

InChI

InChI=1S/C21H28ClN3O2S/c1-13(2)14(3)23-19(26)12-28-21-24-18-11-15(22)9-10-17(18)20(27)25(21)16-7-5-4-6-8-16/h9-11,13-14,16H,4-8,12H2,1-3H3,(H,23,26)/t14-/m0/s1