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

Systemtic Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide Openeye Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(p-tolyl)propanamide CAS Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(4-methylphenyl)propanamide IUPAC Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide Traditional Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(p-tolyl)propionamide Formula: C20H21N3OS MolecularWeight: 351.46524

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3OS/c1-13-7-9-17(10-8-13)22-19(24)14(2)25-20-16(12-21)11-15-5-3-4-6-18(15)23-20/h7-11,14H,3-6H2,1-2H3,(H,22,24)