(9E,12E)-N-[[4-(2-azanylethoxy)-3-methoxy-phenyl]methylsulfanyl]octadeca-9,12-dienamide

Systemtic Name: (9E,12E)-N-[[4-(2-azanylethoxy)-3-methoxy-phenyl]methylsulfanyl]octadeca-9,12-dienamide Openeye Name: (9E,12E)-N-[[4-(2-aminoethoxy)-3-methoxy-phenyl]methylsulfanyl]octadeca-9,12-dienamide CAS Name: (9E,12E)-N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methylthio]octadeca-9,12-dienamide IUPAC Name: (9E,12E)-N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methylsulfanyl]octadeca-9,12-dienamide Traditional Name: (9E,12E)-N-[[4-(2-aminoethoxy)-3-methoxy-benzyl]thio]octadeca-9,12-dienamide Formula: C28H46N2O3S MolecularWeight: 490.74144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)NSCC1=CC(=C(C=C1)OCCN)OC

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)NSCC1=CC(=C(C=C1)OCCN)OC

InChI

InChI=1S/C28H46N2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28(31)30-34-24-25-19-20-26(33-22-21-29)27(23-25)32-2/h7-8,10-11,19-20,23H,3-6,9,12-18,21-22,24,29H2,1-2H3,(H,30,31)/b8-7+,11-10+