(2R)-2-cyano-N-(2,4-dimethylphenyl)-3-(4-methylpiperidin-1-yl)-3-oxidanylidene-propanethioamide

Systemtic Name: (2R)-2-cyano-N-(2,4-dimethylphenyl)-3-(4-methylpiperidin-1-yl)-3-oxidanylidene-propanethioamide Openeye Name: (2R)-2-cyano-N-(2,4-dimethylphenyl)-3-(4-methyl-1-piperidyl)-3-oxo-propanethioamide CAS Name: (2R)-2-cyano-N-(2,4-dimethylphenyl)-3-(4-methyl-1-piperidinyl)-3-oxopropanethioamide IUPAC Name: (2R)-2-cyano-N-(2,4-dimethylphenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanethioamide Traditional Name: (2R)-2-cyano-N-(2,4-dimethylphenyl)-3-keto-3-(4-methylpiperidino)thiopropionamide Formula: C18H23N3OS MolecularWeight: 329.45972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C#N)C(=S)NC2=C(C=C(C=C2)C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@@H](C#N)C(=S)NC2=C(C=C(C=C2)C)C

InChI

InChI=1S/C18H23N3OS/c1-12-6-8-21(9-7-12)18(22)15(11-19)17(23)20-16-5-4-13(2)10-14(16)3/h4-5,10,12,15H,6-9H2,1-3H3,(H,20,23)/t15-/m0/s1