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

Systemtic Name: (2R)-2-cyano-N-(2,4-dimethylphenyl)-3-oxidanylidene-3-pyrrolidin-1-yl-propanethioamide Openeye Name: (2R)-2-cyano-N-(2,4-dimethylphenyl)-3-oxo-3-pyrrolidin-1-yl-propanethioamide CAS Name: (2R)-2-cyano-N-(2,4-dimethylphenyl)-3-oxo-3-(1-pyrrolidinyl)propanethioamide IUPAC Name: (2R)-2-cyano-N-(2,4-dimethylphenyl)-3-oxo-3-pyrrolidin-1-ylpropanethioamide Traditional Name: (2R)-2-cyano-N-(2,4-dimethylphenyl)-3-keto-3-pyrrolidino-thiopropionamide Formula: C16H19N3OS MolecularWeight: 301.40656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)C(C#N)C(=O)N2CCCC2)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)[C@H](C#N)C(=O)N2CCCC2)C

InChI

InChI=1S/C16H19N3OS/c1-11-5-6-14(12(2)9-11)18-15(21)13(10-17)16(20)19-7-3-4-8-19/h5-6,9,13H,3-4,7-8H2,1-2H3,(H,18,21)/t13-/m0/s1