2-(3-cyano-6-ethyl-quinolin-2-yl)sulfanyl-N-(4-ethoxyphenyl)ethanamide

Systemtic Name: 2-(3-cyano-6-ethyl-quinolin-2-yl)sulfanyl-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[(3-cyano-6-ethyl-2-quinolyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[(3-cyano-6-ethyl-2-quinolinyl)thio]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[(3-cyano-6-ethyl-2-quinolyl)thio]-N-p-phenetyl-acetamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC=C(C=C3)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC=C(C=C3)OCC

InChI

InChI=1S/C22H21N3O2S/c1-3-15-5-10-20-16(11-15)12-17(13-23)22(25-20)28-14-21(26)24-18-6-8-19(9-7-18)27-4-2/h5-12H,3-4,14H2,1-2H3,(H,24,26)