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

Systemtic Name: 3,5-diheptyl-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]thiolane-2-carboxamide Openeye Name: 3,5-diheptyl-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridyl]tetrahydrothiophene-2-carboxamide CAS Name: 3,5-diheptyl-N-[6-methyl-2,4-bis(methylthio)-3-pyridinyl]-2-thiolanecarboxamide IUPAC Name: 3,5-diheptyl-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]thiolane-2-carboxamide Traditional Name: 3,5-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(SC1C(=O)NC2=C(N=C(C=C2SC)C)SC)CCCCCCC

Isomeric SMILES

CCCCCCCC1CC(SC1C(=O)NC2=C(N=C(C=C2SC)C)SC)CCCCCCC

InChI

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