2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-cyclooctyl-ethanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-cyclooctyl-ethanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-cyclooctyl-acetamide CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-cyclooctylacetamide IUPAC Name: 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-cyclooctylacetamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-cyclooctyl-acetamide Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3CCCCCCC3

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3CCCCCCC3

InChI

InChI=1S/C21H26ClN3O2S/c1-2-12-25-20(27)17-11-10-15(22)13-18(17)24-21(25)28-14-19(26)23-16-8-6-4-3-5-7-9-16/h2,10-11,13,16H,1,3-9,12,14H2,(H,23,26)