6-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-N-(2-ethylsulfanylethyl)pyridine-3-carboxamide

Systemtic Name: 6-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-N-(2-ethylsulfanylethyl)pyridine-3-carboxamide Openeye Name: 6-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-N-(2-ethylsulfanylethyl)pyridine-3-carboxamide CAS Name: 6-[4-(3-cyclohexyl-1-oxopropyl)-1-piperazinyl]-N-[2-(ethylthio)ethyl]-3-pyridinecarboxamide IUPAC Name: 6-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-N-(2-ethylsulfanylethyl)pyridine-3-carboxamide Traditional Name: 6-[4-(3-cyclohexylpropanoyl)piperazino]-N-[2-(ethylthio)ethyl]nicotinamide Formula: C23H36N4O2S MolecularWeight: 432.62254

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCNC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)CCC3CCCCC3

Isomeric SMILES

CCSCCNC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)CCC3CCCCC3

InChI

InChI=1S/C23H36N4O2S/c1-2-30-17-12-24-23(29)20-9-10-21(25-18-20)26-13-15-27(16-14-26)22(28)11-8-19-6-4-3-5-7-19/h9-10,18-19H,2-8,11-17H2,1H3,(H,24,29)