2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)propanamide

Systemtic Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)propanamide Openeye Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)propanamide CAS Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2,4-dimethylphenyl)propanamide IUPAC Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)propanamide Traditional Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2,4-dimethylphenyl)propionamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3OS/c1-13-8-9-18(14(2)10-13)23-20(25)15(3)26-21-17(12-22)11-16-6-4-5-7-19(16)24-21/h8-11,15H,4-7H2,1-3H3,(H,23,25)