1-(3-decan-3-ylsulfanylpropyl)-3-[11-(4-oxidanylphenoxy)undecanoylamino]urea

Systemtic Name: 1-(3-decan-3-ylsulfanylpropyl)-3-[11-(4-oxidanylphenoxy)undecanoylamino]urea Openeye Name: 1-[3-(1-ethyloctylsulfanyl)propyl]-3-[11-(4-hydroxyphenoxy)undecanoylamino]urea CAS Name: 1-[3-(decan-3-ylthio)propyl]-3-[[11-(4-hydroxyphenoxy)-1-oxoundecyl]amino]urea IUPAC Name: 1-(3-decan-3-ylsulfanylpropyl)-3-[11-(4-hydroxyphenoxy)undecanoylamino]urea Traditional Name: 1-[3-(1-ethyloctylthio)propyl]-3-[11-(4-hydroxyphenoxy)undecanoylamino]urea Formula: C31H55N3O4S MolecularWeight: 565.8511

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CC)SCCCNC(=O)NNC(=O)CCCCCCCCCCOC1=CC=C(C=C1)O

Isomeric SMILES

CCCCCCCC(CC)SCCCNC(=O)NNC(=O)CCCCCCCCCCOC1=CC=C(C=C1)O

InChI

InChI=1S/C31H55N3O4S/c1-3-5-6-11-14-18-29(4-2)39-26-17-24-32-31(37)34-33-30(36)19-15-12-9-7-8-10-13-16-25-38-28-22-20-27(35)21-23-28/h20-23,29,35H,3-19,24-26H2,1-2H3,(H,33,36)(H2,32,34,37)