2-(4-methylphenyl)sulfanyl-N-(2-methylquinolin-4-yl)butanamide

Systemtic Name: 2-(4-methylphenyl)sulfanyl-N-(2-methylquinolin-4-yl)butanamide Openeye Name: N-(2-methyl-4-quinolyl)-2-(p-tolylsulfanyl)butanamide CAS Name: 2-[(4-methylphenyl)thio]-N-(2-methyl-4-quinolinyl)butanamide IUPAC Name: 2-(4-methylphenyl)sulfanyl-N-(2-methylquinolin-4-yl)butanamide Traditional Name: N-(2-methyl-4-quinolyl)-2-(p-tolylthio)butyramide Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=NC2=CC=CC=C21)C)SC3=CC=C(C=C3)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=NC2=CC=CC=C21)C)SC3=CC=C(C=C3)C

InChI

InChI=1S/C21H22N2OS/c1-4-20(25-16-11-9-14(2)10-12-16)21(24)23-19-13-15(3)22-18-8-6-5-7-17(18)19/h5-13,20H,4H2,1-3H3,(H,22,23,24)