2-(3-cyano-6,7-dimethyl-quinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]ethanamide

Systemtic Name: 2-(3-cyano-6,7-dimethyl-quinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]ethanamide Openeye Name: 2-[(3-cyano-6,7-dimethyl-2-quinolyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide CAS Name: 2-[(3-cyano-6,7-dimethyl-2-quinolinyl)thio]-N-[(4-methoxyphenyl)methyl]acetamide IUPAC Name: 2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide Traditional Name: 2-[(3-cyano-6,7-dimethyl-2-quinolyl)thio]-N-p-anisyl-acetamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)NCC3=CC=C(C=C3)OC)C#N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)NCC3=CC=C(C=C3)OC)C#N)C

InChI

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