(2S)-2-cyano-N-(3-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-3-oxidanylidene-propanethioamide

Systemtic Name: (2S)-2-cyano-N-(3-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-3-oxidanylidene-propanethioamide Openeye Name: (2S)-2-cyano-N-(3-methoxyphenyl)-3-(4-methyl-1-piperidyl)-3-oxo-propanethioamide CAS Name: (2S)-2-cyano-N-(3-methoxyphenyl)-3-(4-methyl-1-piperidinyl)-3-oxopropanethioamide IUPAC Name: (2S)-2-cyano-N-(3-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanethioamide Traditional Name: (2S)-2-cyano-3-keto-N-(3-methoxyphenyl)-3-(4-methylpiperidino)thiopropionamide Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2S/c1-12-6-8-20(9-7-12)17(21)15(11-18)16(23)19-13-4-3-5-14(10-13)22-2/h3-5,10,12,15H,6-9H2,1-2H3,(H,19,23)/t15-/m1/s1