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

Systemtic Name: N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-3,6-dioctyl-thiane-2-carboxamide Openeye Name: N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridyl]-3,6-dioctyl-tetrahydrothiopyran-2-carboxamide CAS Name: N-[6-methyl-2,4-bis(methylthio)-3-pyridinyl]-3,6-dioctyl-2-thianecarboxamide IUPAC Name: N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-3,6-dioctylthiane-2-carboxamide Traditional Name: N-[6-methyl-2,4-bis(methylthio)-3-pyridyl]-3,6-dioctyl-tetrahydrothiopyran-2-carboxamide Formula: C30H52N2OS3 MolecularWeight: 552.94168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(SC1C(=O)NC2=C(N=C(C=C2SC)C)SC)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1CCC(SC1C(=O)NC2=C(N=C(C=C2SC)C)SC)CCCCCCCC

InChI

InChI=1S/C30H52N2OS3/c1-6-8-10-12-14-16-18-24-20-21-25(19-17-15-13-11-9-7-2)36-28(24)29(33)32-27-26(34-4)22-23(3)31-30(27)35-5/h22,24-25,28H,6-21H2,1-5H3,(H,32,33)