(2R)-N-(1-cyanocyclohexyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(1-cyanocyclohexyl)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-2-[(4,8-dimethyl-2-quinolinyl)thio]propanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(1-cyanocyclohexyl)-2-[(4,8-dimethyl-2-quinolyl)thio]propionamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SC(C)C(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)S[C@H](C)C(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C21H25N3OS/c1-14-8-7-9-17-15(2)12-18(23-19(14)17)26-16(3)20(25)24-21(13-22)10-5-4-6-11-21/h7-9,12,16H,4-6,10-11H2,1-3H3,(H,24,25)/t16-/m1/s1