2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[(3-cyano-5,8-dimethyl-2-quinolyl)sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[(3-cyano-5,8-dimethyl-2-quinolinyl)thio]-N-phenethylacetamide IUPAC Name: 2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-phenethylacetamide Traditional Name: 2-[(3-cyano-5,8-dimethyl-2-quinolyl)thio]-N-phenethyl-acetamide Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=NC2=C(C=C1)C)SCC(=O)NCCC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C2C=C(C(=NC2=C(C=C1)C)SCC(=O)NCCC3=CC=CC=C3)C#N

InChI

InChI=1S/C22H21N3OS/c1-15-8-9-16(2)21-19(15)12-18(13-23)22(25-21)27-14-20(26)24-11-10-17-6-4-3-5-7-17/h3-9,12H,10-11,14H2,1-2H3,(H,24,26)