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

Systemtic Name: 4-[(E)-1-(2-azanyl-2-oxidanylidene-ethyl)sulfanylhexadec-2-enyl]-4-oxidanyl-cyclohexane-1-carboxamide Openeye Name: 4-[(E)-1-(2-amino-2-oxo-ethyl)sulfanylhexadec-2-enyl]-4-hydroxy-cyclohexanecarboxamide CAS Name: 4-[(E)-1-[(2-amino-2-oxoethyl)thio]hexadec-2-enyl]-4-hydroxy-1-cyclohexanecarboxamide IUPAC Name: 4-[(E)-1-(2-amino-2-oxoethyl)sulfanylhexadec-2-enyl]-4-hydroxycyclohexane-1-carboxamide Traditional Name: 4-[(E)-1-[(2-amino-2-keto-ethyl)thio]hexadec-2-enyl]-4-hydroxy-cyclohexanecarboxamide Formula: C25H46N2O3S MolecularWeight: 454.70934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H46N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(31-20-23(26)28)25(30)18-16-21(17-19-25)24(27)29/h14-15,21-22,30H,2-13,16-20H2,1H3,(H2,26,28)(H2,27,29)/b15-14+