(2S)-2-cyano-N-(2,4-dimethylphenyl)-3-morpholin-4-yl-3-oxidanylidene-propanethioamide

Systemtic Name: (2S)-2-cyano-N-(2,4-dimethylphenyl)-3-morpholin-4-yl-3-oxidanylidene-propanethioamide Openeye Name: (2S)-2-cyano-N-(2,4-dimethylphenyl)-3-morpholino-3-oxo-propanethioamide CAS Name: (2S)-2-cyano-N-(2,4-dimethylphenyl)-3-(4-morpholinyl)-3-oxopropanethioamide IUPAC Name: (2S)-2-cyano-N-(2,4-dimethylphenyl)-3-morpholin-4-yl-3-oxopropanethioamide Traditional Name: (2S)-2-cyano-N-(2,4-dimethylphenyl)-3-keto-3-morpholino-thiopropionamide Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)C(C#N)C(=O)N2CCOCC2)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)[C@@H](C#N)C(=O)N2CCOCC2)C

InChI

InChI=1S/C16H19N3O2S/c1-11-3-4-14(12(2)9-11)18-15(22)13(10-17)16(20)19-5-7-21-8-6-19/h3-4,9,13H,5-8H2,1-2H3,(H,18,22)/t13-/m1/s1