2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-(2-methylcyclohexyl)propanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-(2-methylcyclohexyl)propanamide Openeye Name: 2-(7-chloro-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-(2-methylcyclohexyl)propanamide CAS Name: 2-[(7-chloro-4-oxo-3-propyl-2-quinazolinyl)thio]-N-(2-methylcyclohexyl)propanamide IUPAC Name: 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2-methylcyclohexyl)propanamide Traditional Name: 2-[(7-chloro-4-keto-3-propyl-quinazolin-2-yl)thio]-N-(2-methylcyclohexyl)propionamide Formula: C21H28ClN3O2S MolecularWeight: 421.98392

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC3CCCCC3C

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC3CCCCC3C

InChI

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