3,6-dibutyl-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]thiane-2-carboxamide

Systemtic Name: 3,6-dibutyl-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]thiane-2-carboxamide Openeye Name: 3,6-dibutyl-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridyl]tetrahydrothiopyran-2-carboxamide CAS Name: 3,6-dibutyl-N-[6-methyl-2,4-bis(methylthio)-3-pyridinyl]-2-thianecarboxamide IUPAC Name: 3,6-dibutyl-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]thiane-2-carboxamide Traditional Name: 3,6-dibutyl-N-[6-methyl-2,4-bis(methylthio)-3-pyridyl]tetrahydrothiopyran-2-carboxamide Formula: C22H36N2OS3 MolecularWeight: 440.72904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(SC1C(=O)NC2=C(N=C(C=C2SC)C)SC)CCCC

Isomeric SMILES

CCCCC1CCC(SC1C(=O)NC2=C(N=C(C=C2SC)C)SC)CCCC

InChI

InChI=1S/C22H36N2OS3/c1-6-8-10-16-12-13-17(11-9-7-2)28-20(16)21(25)24-19-18(26-4)14-15(3)23-22(19)27-5/h14,16-17,20H,6-13H2,1-5H3,(H,24,25)