2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-cycloheptyl-ethanamide

Systemtic Name: 2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-cycloheptyl-ethanamide Openeye Name: 2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-cycloheptyl-acetamide CAS Name: 2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-cycloheptylacetamide IUPAC Name: 2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-cycloheptylacetamide Traditional Name: 2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-N-cycloheptyl-acetamide Formula: C20H24ClN3O2S MolecularWeight: 405.94146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)NC3CCCCCC3

Isomeric SMILES

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)NC3CCCCCC3

InChI

InChI=1S/C20H24ClN3O2S/c1-2-11-24-19(26)16-12-14(21)9-10-17(16)23-20(24)27-13-18(25)22-15-7-5-3-4-6-8-15/h2,9-10,12,15H,1,3-8,11,13H2,(H,22,25)