2-(3-cyano-6-ethoxy-quinolin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]ethanamide

Systemtic Name: 2-(3-cyano-6-ethoxy-quinolin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]ethanamide Openeye Name: 2-[(3-cyano-6-ethoxy-2-quinolyl)sulfanyl]-N-(p-tolylmethyl)acetamide CAS Name: 2-[(3-cyano-6-ethoxy-2-quinolinyl)thio]-N-[(4-methylphenyl)methyl]acetamide IUPAC Name: 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide Traditional Name: 2-[(3-cyano-6-ethoxy-2-quinolyl)thio]-N-(4-methylbenzyl)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)NCC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NCC3=CC=C(C=C3)C

InChI

InChI=1S/C22H21N3O2S/c1-3-27-19-8-9-20-17(11-19)10-18(12-23)22(25-20)28-14-21(26)24-13-16-6-4-15(2)5-7-16/h4-11H,3,13-14H2,1-2H3,(H,24,26)