N-(2-octadecan-2-ylsulfanylethyl)-N'-[4-(4-oxidanylphenoxy)phenyl]propanediamide

Systemtic Name: N-(2-octadecan-2-ylsulfanylethyl)-N'-[4-(4-oxidanylphenoxy)phenyl]propanediamide Openeye Name: N'-[4-(4-hydroxyphenoxy)phenyl]-N-[2-(1-methylheptadecylsulfanyl)ethyl]propanediamide CAS Name: N'-[4-(4-hydroxyphenoxy)phenyl]-N-[2-(octadecan-2-ylthio)ethyl]propanediamide IUPAC Name: N'-[4-(4-hydroxyphenoxy)phenyl]-N-(2-octadecan-2-ylsulfanylethyl)propanediamide Traditional Name: N'-[4-(4-hydroxyphenoxy)phenyl]-N-[2-(1-methylheptadecylthio)ethyl]malonamide Formula: C35H54N2O4S MolecularWeight: 598.87926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)SCCNC(=O)CC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)SCCNC(=O)CC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)O

InChI

InChI=1S/C35H54N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29(2)42-27-26-36-34(39)28-35(40)37-30-18-22-32(23-19-30)41-33-24-20-31(38)21-25-33/h18-25,29,38H,3-17,26-28H2,1-2H3,(H,36,39)(H,37,40)