N-[2-(2-cyanoethylsulfanyl)phenyl]-2-[1-(4-pyridin-2-ylpiperazin-1-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-2-[1-(4-pyridin-2-ylpiperazin-1-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-2-[1-[4-(2-pyridyl)piperazine-1-carbonyl]-4-piperidyl]thiazole-4-carboxamide CAS Name: N-[2-(2-cyanoethylthio)phenyl]-2-[1-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-[2-(2-cyanoethylthio)phenyl]-2-[1-[4-(2-pyridyl)piperazine-1-carbonyl]-4-piperidyl]thiazole-4-carboxamide Formula: C28H31N7O2S2 MolecularWeight: 561.72144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=CS2)C(=O)NC3=CC=CC=C3SCCC#N)C(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C(=O)NC3=CC=CC=C3SCCC#N)C(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C28H31N7O2S2/c29-11-5-19-38-24-7-2-1-6-22(24)31-26(36)23-20-39-27(32-23)21-9-13-34(14-10-21)28(37)35-17-15-33(16-18-35)25-8-3-4-12-30-25/h1-4,6-8,12,20-21H,5,9-10,13-19H2,(H,31,36)