(2R)-N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-(4,8-dimethylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-(4,8-dimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: (2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4,8-dimethyl-2-quinolinyl)thio]propanamide IUPAC Name: (2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[(4,8-dimethyl-2-quinolyl)thio]propionamide Formula: C20H25N3OS MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SC(C)C(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C

InChI

InChI=1S/C20H25N3OS/c1-12(2)20(6,11-21)23-19(24)15(5)25-17-10-14(4)16-9-7-8-13(3)18(16)22-17/h7-10,12,15H,1-6H3,(H,23,24)/t15-,20-/m1/s1