(2S)-2-(2-azanyl-3,5-dicyano-6-piperidin-1-yl-pyridin-4-yl)-2-cyano-N-(4-methylphenyl)ethanethioamide

Systemtic Name: (2S)-2-(2-azanyl-3,5-dicyano-6-piperidin-1-yl-pyridin-4-yl)-2-cyano-N-(4-methylphenyl)ethanethioamide Openeye Name: (2S)-2-[2-amino-3,5-dicyano-6-(1-piperidyl)-4-pyridyl]-2-cyano-N-(p-tolyl)thioacetamide CAS Name: (2S)-2-[2-amino-3,5-dicyano-6-(1-piperidinyl)-4-pyridinyl]-2-cyano-N-(4-methylphenyl)ethanethioamide IUPAC Name: (2S)-2-(2-amino-3,5-dicyano-6-piperidin-1-ylpyridin-4-yl)-2-cyano-N-(4-methylphenyl)ethanethioamide Traditional Name: (2S)-2-(2-amino-3,5-dicyano-6-piperidino-4-pyridyl)-2-cyano-N-(p-tolyl)thioacetamide Formula: C22H21N7S MolecularWeight: 415.51404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)C(C#N)C2=C(C(=NC(=C2C#N)N)N3CCCCC3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)[C@H](C#N)C2=C(C(=NC(=C2C#N)N)N3CCCCC3)C#N

InChI

InChI=1S/C22H21N7S/c1-14-5-7-15(8-6-14)27-22(30)18(13-25)19-16(11-23)20(26)28-21(17(19)12-24)29-9-3-2-4-10-29/h5-8,18H,2-4,9-10H2,1H3,(H2,26,28)(H,27,30)/t18-/m1/s1