1-(3-octadecan-3-ylsulfanylpropyl)-3-[4-(4-oxidanylphenoxy)phenyl]urea

Systemtic Name: 1-(3-octadecan-3-ylsulfanylpropyl)-3-[4-(4-oxidanylphenoxy)phenyl]urea Openeye Name: 1-[3-(1-ethylhexadecylsulfanyl)propyl]-3-[4-(4-hydroxyphenoxy)phenyl]urea CAS Name: 1-[4-(4-hydroxyphenoxy)phenyl]-3-[3-(octadecan-3-ylthio)propyl]urea IUPAC Name: 1-[4-(4-hydroxyphenoxy)phenyl]-3-(3-octadecan-3-ylsulfanylpropyl)urea Traditional Name: 1-[3-(1-ethylhexadecylthio)propyl]-3-[4-(4-hydroxyphenoxy)phenyl]urea Formula: C34H54N2O3S MolecularWeight: 570.86916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC)SCCCNC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC)SCCCNC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)O

InChI

InChI=1S/C34H54N2O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-33(4-2)40-28-17-27-35-34(38)36-29-19-23-31(24-20-29)39-32-25-21-30(37)22-26-32/h19-26,33,37H,3-18,27-28H2,1-2H3,(H2,35,36,38)