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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3OS/c1-14-7-8-18(11-15(14)2)23-20(25)9-10-26-21-17(13-22)12-16-5-3-4-6-19(16)24-21/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,23,25)