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

Systemtic Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide Openeye Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide CAS Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2,3-dimethylphenyl)propanamide IUPAC Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide Traditional Name: 2-[(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)C(C)SC2=NC3=C(CCCC3)C=C2C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C(C)SC2=NC3=C(CCCC3)C=C2C#N)C

InChI

InChI=1S/C21H23N3OS/c1-13-7-6-10-18(14(13)2)23-20(25)15(3)26-21-17(12-22)11-16-8-4-5-9-19(16)24-21/h6-7,10-11,15H,4-5,8-9H2,1-3H3,(H,23,25)