1-(2-octadecan-2-ylsulfanylethyl)-3-[4-(4-oxidanylphenoxy)phenyl]urea

Systemtic Name: 1-(2-octadecan-2-ylsulfanylethyl)-3-[4-(4-oxidanylphenoxy)phenyl]urea Openeye Name: 1-[4-(4-hydroxyphenoxy)phenyl]-3-[2-(1-methylheptadecylsulfanyl)ethyl]urea CAS Name: 1-[4-(4-hydroxyphenoxy)phenyl]-3-[2-(octadecan-2-ylthio)ethyl]urea IUPAC Name: 1-[4-(4-hydroxyphenoxy)phenyl]-3-(2-octadecan-2-ylsulfanylethyl)urea Traditional Name: 1-[4-(4-hydroxyphenoxy)phenyl]-3-[2-(1-methylheptadecylthio)ethyl]urea Formula: C33H52N2O3S MolecularWeight: 556.84258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)SCCNC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)SCCNC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)O

InChI

InChI=1S/C33H52N2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(2)39-27-26-34-33(37)35-29-18-22-31(23-19-29)38-32-24-20-30(36)21-25-32/h18-25,28,36H,3-17,26-27H2,1-2H3,(H2,34,35,37)