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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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