1-hexadecyl-3-[4-[[4-(hexadecylcarbamoylamino)phenyl]methyl]phenyl]urea

Systemtic Name: 1-hexadecyl-3-[4-[[4-(hexadecylcarbamoylamino)phenyl]methyl]phenyl]urea Openeye Name: 1-hexadecyl-3-[4-[[4-(hexadecylcarbamoylamino)phenyl]methyl]phenyl]urea CAS Name: 1-hexadecyl-3-[4-[[4-[[(hexadecylamino)-oxomethyl]amino]phenyl]methyl]phenyl]urea IUPAC Name: 1-hexadecyl-3-[4-[[4-(hexadecylcarbamoylamino)phenyl]methyl]phenyl]urea Traditional Name: 1-cetyl-3-[4-[4-(cetylcarbamoylamino)benzyl]phenyl]urea Formula: C47H80N4O2 MolecularWeight: 733.1637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)NCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)NCCCCCCCCCCCCCCCC

InChI

InChI=1S/C47H80N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39-48-46(52)50-44-35-31-42(32-36-44)41-43-33-37-45(38-34-43)51-47(53)49-40-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-38H,3-30,39-41H2,1-2H3,(H2,48,50,52)(H2,49,51,53)