1-[(4-hydroxyphenyl)sulfanylmethyl]-3-octadecyl-urea

Systemtic Name: 1-[(4-hydroxyphenyl)sulfanylmethyl]-3-octadecyl-urea Openeye Name: 1-[(4-hydroxyphenyl)sulfanylmethyl]-3-octadecyl-urea CAS Name: 1-[[(4-hydroxyphenyl)thio]methyl]-3-octadecylurea IUPAC Name: 1-[(4-hydroxyphenyl)sulfanylmethyl]-3-octadecylurea Traditional Name: 1-[[(4-hydroxyphenyl)thio]methyl]-3-stearyl-urea Formula: C26H46N2O2S MolecularWeight: 450.72064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)NCSC1=CC=C(C=C1)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)NCSC1=CC=C(C=C1)O

InChI

InChI=1S/C26H46N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-26(30)28-23-31-25-20-18-24(29)19-21-25/h18-21,29H,2-17,22-23H2,1H3,(H2,27,28,30)