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

Systemtic Name: N-butan-2-yl-2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-[(3-cyano-5,8-dimethyl-2-quinolyl)sulfanyl]-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[(3-cyano-5,8-dimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-butan-2-yl-2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-cyano-5,8-dimethyl-2-quinolyl)thio]-N-sec-butyl-acetamide Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=C(C=CC(=C2C=C1C#N)C)C

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC2=C(C=CC(=C2C=C1C#N)C)C

InChI

InChI=1S/C18H21N3OS/c1-5-13(4)20-16(22)10-23-18-14(9-19)8-15-11(2)6-7-12(3)17(15)21-18/h6-8,13H,5,10H2,1-4H3,(H,20,22)