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

Systemtic Name: 1-(2-octadecan-2-ylsulfanylethyl)-3-[3-(4-oxidanylphenoxy)propanoylamino]urea Openeye Name: 1-[3-(4-hydroxyphenoxy)propanoylamino]-3-[2-(1-methylheptadecylsulfanyl)ethyl]urea CAS Name: 1-[[3-(4-hydroxyphenoxy)-1-oxopropyl]amino]-3-[2-(octadecan-2-ylthio)ethyl]urea IUPAC Name: 1-[3-(4-hydroxyphenoxy)propanoylamino]-3-(2-octadecan-2-ylsulfanylethyl)urea Traditional Name: 1-[3-(4-hydroxyphenoxy)propanoylamino]-3-[2-(1-methylheptadecylthio)ethyl]urea Formula: C30H53N3O4S MolecularWeight: 551.82452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)SCCNC(=O)NNC(=O)CCOC1=CC=C(C=C1)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)SCCNC(=O)NNC(=O)CCOC1=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)38-25-23-31-30(36)33-32-29(35)22-24-37-28-20-18-27(34)19-21-28/h18-21,26,34H,3-17,22-25H2,1-2H3,(H,32,35)(H2,31,33,36)