2-(3-cyano-7,8-dimethyl-quinolin-2-yl)sulfanyl-N-(4-ethoxyphenyl)ethanamide

Systemtic Name: 2-(3-cyano-7,8-dimethyl-quinolin-2-yl)sulfanyl-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[(3-cyano-7,8-dimethyl-2-quinolyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[(3-cyano-7,8-dimethyl-2-quinolinyl)thio]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[(3-cyano-7,8-dimethyl-2-quinolyl)thio]-N-p-phenetyl-acetamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3C)C)C=C2C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3C)C)C=C2C#N

InChI

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