4,5-diheptyl-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]thiolane-2-carboxamide

Systemtic Name: 4,5-diheptyl-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]thiolane-2-carboxamide Openeye Name: 4,5-diheptyl-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridyl]tetrahydrothiophene-2-carboxamide CAS Name: 4,5-diheptyl-N-[6-methyl-2,4-bis(methylthio)-3-pyridinyl]-2-thiolanecarboxamide IUPAC Name: 4,5-diheptyl-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]thiolane-2-carboxamide Traditional Name: 4,5-diheptyl-N-[6-methyl-2,4-bis(methylthio)-3-pyridyl]tetrahydrothiophene-2-carboxamide Formula: C27H46N2OS3 MolecularWeight: 510.86194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CC(SC1CCCCCCC)C(=O)NC2=C(N=C(C=C2SC)C)SC

Isomeric SMILES

CCCCCCCC1CC(SC1CCCCCCC)C(=O)NC2=C(N=C(C=C2SC)C)SC

InChI

InChI=1S/C27H46N2OS3/c1-6-8-10-12-14-16-21-19-24(33-22(21)17-15-13-11-9-7-2)26(30)29-25-23(31-4)18-20(3)28-27(25)32-5/h18,21-22,24H,6-17,19H2,1-5H3,(H,29,30)