3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)propanamide

Systemtic Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)propanamide Openeye Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)propanamide CAS Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2,6-dimethylphenyl)propanamide IUPAC Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)propanamide Traditional Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2,6-dimethylphenyl)propionamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCSC2=NC3=C(CCCC3)C=C2C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCSC2=NC3=C(CCCC3)C=C2C#N

InChI

InChI=1S/C21H23N3OS/c1-14-6-5-7-15(2)20(14)24-19(25)10-11-26-21-17(13-22)12-16-8-3-4-9-18(16)23-21/h5-7,12H,3-4,8-11H2,1-2H3,(H,24,25)