(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)propanamide

Systemtic Name: (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)propanamide Openeye Name: (2S)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]-N-(m-tolyl)propanamide CAS Name: (2S)-2-[(4,8-dimethyl-2-quinolinyl)thio]-N-(3-methylphenyl)propanamide IUPAC Name: (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)propanamide Traditional Name: (2S)-2-[(4,8-dimethyl-2-quinolyl)thio]-N-(m-tolyl)propionamide Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SC2=NC3=C(C=CC=C3C)C(=C2)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)SC2=NC3=C(C=CC=C3C)C(=C2)C

InChI

InChI=1S/C21H22N2OS/c1-13-7-5-9-17(11-13)22-21(24)16(4)25-19-12-15(3)18-10-6-8-14(2)20(18)23-19/h5-12,16H,1-4H3,(H,22,24)/t16-/m0/s1