N-(2-octadecan-2-ylsulfanylethylcarbamoyl)-3-(4-oxidanylphenoxy)propanamide

Systemtic Name: N-(2-octadecan-2-ylsulfanylethylcarbamoyl)-3-(4-oxidanylphenoxy)propanamide Openeye Name: 3-(4-hydroxyphenoxy)-N-[2-(1-methylheptadecylsulfanyl)ethylcarbamoyl]propanamide CAS Name: 3-(4-hydroxyphenoxy)-N-[[2-(octadecan-2-ylthio)ethylamino]-oxomethyl]propanamide IUPAC Name: 3-(4-hydroxyphenoxy)-N-(2-octadecan-2-ylsulfanylethylcarbamoyl)propanamide Traditional Name: 3-(4-hydroxyphenoxy)-N-[2-(1-methylheptadecylthio)ethylcarbamoyl]propionamide Formula: C30H52N2O4S MolecularWeight: 536.80988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)SCCNC(=O)NC(=O)CCOC1=CC=C(C=C1)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)SCCNC(=O)NC(=O)CCOC1=CC=C(C=C1)O

InChI

InChI=1S/C30H52N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(2)37-25-23-31-30(35)32-29(34)22-24-36-28-20-18-27(33)19-21-28/h18-21,26,33H,3-17,22-25H2,1-2H3,(H2,31,32,34,35)