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

Systemtic Name: 6-[4-(2-cyclohexylethanoyl)piperazin-1-yl]-N-(2-ethylsulfanylethyl)pyridine-3-carboxamide Openeye Name: 6-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(2-ethylsulfanylethyl)pyridine-3-carboxamide CAS Name: 6-[4-(2-cyclohexyl-1-oxoethyl)-1-piperazinyl]-N-[2-(ethylthio)ethyl]-3-pyridinecarboxamide IUPAC Name: 6-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(2-ethylsulfanylethyl)pyridine-3-carboxamide Traditional Name: 6-[4-(2-cyclohexylacetyl)piperazino]-N-[2-(ethylthio)ethyl]nicotinamide Formula: C22H34N4O2S MolecularWeight: 418.59596

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCNC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)CC3CCCCC3

Isomeric SMILES

CCSCCNC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)CC3CCCCC3

InChI

InChI=1S/C22H34N4O2S/c1-2-29-15-10-23-22(28)19-8-9-20(24-17-19)25-11-13-26(14-12-25)21(27)16-18-6-4-3-5-7-18/h8-9,17-18H,2-7,10-16H2,1H3,(H,23,28)