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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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