N-[2-(phenylmethylsulfanyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-cyclohexane-1-carboxamide

Systemtic Name: N-[2-(phenylmethylsulfanyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-cyclohexane-1-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-2-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohexanecarboxamide CAS Name: 2-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-N-[2-(phenylmethylthio)ethyl]-1-cyclohexanecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-2-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohexanecarboxamide Formula: C26H34N4O2S MolecularWeight: 466.63876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCCSCC2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C1CCC(C(C1)C(=O)NCCSCC2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C26H34N4O2S/c31-25(28-14-19-33-20-21-8-2-1-3-9-21)22-10-4-5-11-23(22)26(32)30-17-15-29(16-18-30)24-12-6-7-13-27-24/h1-3,6-9,12-13,22-23H,4-5,10-11,14-20H2,(H,28,31)