N-methyl-4-[(E)-1-[2-(methylamino)-2-oxidanylidene-ethyl]sulfanylhexadec-2-enyl]-4-oxidanyl-cyclohexane-1-carboxamide

Systemtic Name: N-methyl-4-[(E)-1-[2-(methylamino)-2-oxidanylidene-ethyl]sulfanylhexadec-2-enyl]-4-oxidanyl-cyclohexane-1-carboxamide Openeye Name: 4-hydroxy-N-methyl-4-[(E)-1-[2-(methylamino)-2-oxo-ethyl]sulfanylhexadec-2-enyl]cyclohexanecarboxamide CAS Name: 4-hydroxy-N-methyl-4-[(E)-1-[[2-(methylamino)-2-oxoethyl]thio]hexadec-2-enyl]-1-cyclohexanecarboxamide IUPAC Name: 4-hydroxy-N-methyl-4-[(E)-1-[2-(methylamino)-2-oxoethyl]sulfanylhexadec-2-enyl]cyclohexane-1-carboxamide Traditional Name: 4-hydroxy-4-[(E)-1-[[2-keto-2-(methylamino)ethyl]thio]hexadec-2-enyl]-N-methyl-cyclohexanecarboxamide Formula: C27H50N2O3S MolecularWeight: 482.7625

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C1(CCC(CC1)C(=O)NC)O)SCC(=O)NC

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C1(CCC(CC1)C(=O)NC)O)SCC(=O)NC

InChI

InChI=1S/C27H50N2O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(33-22-25(30)28-2)27(32)20-18-23(19-21-27)26(31)29-3/h16-17,23-24,32H,4-15,18-22H2,1-3H3,(H,28,30)(H,29,31)/b17-16+