N-[(3-octadecan-3-ylsulfanylpropylcarbamoylamino)methyl]-3-(4-oxidanylphenoxy)propanamide

Systemtic Name: N-[(3-octadecan-3-ylsulfanylpropylcarbamoylamino)methyl]-3-(4-oxidanylphenoxy)propanamide Openeye Name: N-[[3-(1-ethylhexadecylsulfanyl)propylcarbamoylamino]methyl]-3-(4-hydroxyphenoxy)propanamide CAS Name: 3-(4-hydroxyphenoxy)-N-[[[[3-(octadecan-3-ylthio)propylamino]-oxomethyl]amino]methyl]propanamide IUPAC Name: 3-(4-hydroxyphenoxy)-N-[(3-octadecan-3-ylsulfanylpropylcarbamoylamino)methyl]propanamide Traditional Name: N-[[3-(1-ethylhexadecylthio)propylcarbamoylamino]methyl]-3-(4-hydroxyphenoxy)propionamide Formula: C32H57N3O4S MolecularWeight: 579.87768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC)SCCCNC(=O)NCNC(=O)CCOC1=CC=C(C=C1)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC)SCCCNC(=O)NCNC(=O)CCOC1=CC=C(C=C1)O

InChI

InChI=1S/C32H57N3O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-30(4-2)40-26-17-24-33-32(38)35-27-34-31(37)23-25-39-29-21-19-28(36)20-22-29/h19-22,30,36H,3-18,23-27H2,1-2H3,(H,34,37)(H2,33,35,38)