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

Systemtic Name: 3,6-diheptyl-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]thiane-2-carboxamide Openeye Name: 3,6-diheptyl-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridyl]tetrahydrothiopyran-2-carboxamide CAS Name: 3,6-diheptyl-N-[6-methyl-2,4-bis(methylthio)-3-pyridinyl]-2-thianecarboxamide IUPAC Name: 3,6-diheptyl-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]thiane-2-carboxamide Traditional Name: 3,6-diheptyl-N-[6-methyl-2,4-bis(methylthio)-3-pyridyl]tetrahydrothiopyran-2-carboxamide Formula: C28H48N2OS3 MolecularWeight: 524.88852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(SC1C(=O)NC2=C(N=C(C=C2SC)C)SC)CCCCCCC

Isomeric SMILES

CCCCCCCC1CCC(SC1C(=O)NC2=C(N=C(C=C2SC)C)SC)CCCCCCC

InChI

InChI=1S/C28H48N2OS3/c1-6-8-10-12-14-16-22-18-19-23(17-15-13-11-9-7-2)34-26(22)27(31)30-25-24(32-4)20-21(3)29-28(25)33-5/h20,22-23,26H,6-19H2,1-5H3,(H,30,31)