2-(3-cyano-6-ethoxy-quinolin-2-yl)sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-(3-cyano-6-ethoxy-quinolin-2-yl)sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[(3-cyano-6-ethoxy-2-quinolyl)sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[(3-cyano-6-ethoxy-2-quinolinyl)thio]-N-phenethylacetamide IUPAC Name: 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-phenethylacetamide Traditional Name: 2-[(3-cyano-6-ethoxy-2-quinolyl)thio]-N-phenethyl-acetamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O2S/c1-2-27-19-8-9-20-17(13-19)12-18(14-23)22(25-20)28-15-21(26)24-11-10-16-6-4-3-5-7-16/h3-9,12-13H,2,10-11,15H2,1H3,(H,24,26)