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

Systemtic Name: N-cyclooctyl-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-cyclooctyl-2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-cyclooctyl-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-cyclooctyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-cyclooctyl-2-[(4-keto-3-propyl-quinazolin-2-yl)thio]acetamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CCCCCCC3

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CCCCCCC3

InChI

InChI=1S/C21H29N3O2S/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/h8-9,12-13,16H,2-7,10-11,14-15H2,1H3,(H,22,25)