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

Systemtic Name: N-cyclooctyl-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-cyclooctyl-acetamide CAS Name: N-cyclooctyl-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-cyclooctyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-cyclooctyl-acetamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CCCCCCC3

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CCCCCCC3

InChI

InChI=1S/C21H27N3O2S/c1-2-14-24-20(26)17-12-8-9-13-18(17)23-21(24)27-15-19(25)22-16-10-6-4-3-5-7-11-16/h2,8-9,12-13,16H,1,3-7,10-11,14-15H2,(H,22,25)