N-[(2-octadecan-2-ylsulfanylethylcarbamoylamino)methyl]-2-(4-oxidanylphenoxy)ethanamide

Systemtic Name: N-[(2-octadecan-2-ylsulfanylethylcarbamoylamino)methyl]-2-(4-oxidanylphenoxy)ethanamide Openeye Name: 2-(4-hydroxyphenoxy)-N-[[2-(1-methylheptadecylsulfanyl)ethylcarbamoylamino]methyl]acetamide CAS Name: 2-(4-hydroxyphenoxy)-N-[[[[2-(octadecan-2-ylthio)ethylamino]-oxomethyl]amino]methyl]acetamide IUPAC Name: 2-(4-hydroxyphenoxy)-N-[(2-octadecan-2-ylsulfanylethylcarbamoylamino)methyl]acetamide Traditional Name: 2-(4-hydroxyphenoxy)-N-[[2-(1-methylheptadecylthio)ethylcarbamoylamino]methyl]acetamide Formula: C30H53N3O4S MolecularWeight: 551.82452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)SCCNC(=O)NCNC(=O)COC1=CC=C(C=C1)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)SCCNC(=O)NCNC(=O)COC1=CC=C(C=C1)O

InChI

InChI=1S/C30H53N3O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(2)38-23-22-31-30(36)33-25-32-29(35)24-37-28-20-18-27(34)19-21-28/h18-21,26,34H,3-17,22-25H2,1-2H3,(H,32,35)(H2,31,33,36)