1-[4-[[4-[aminocarbonyl(tridecyl)amino]phenyl]methyl]phenyl]-1-tridecyl-urea

Systemtic Name: 1-[4-[[4-[aminocarbonyl(tridecyl)amino]phenyl]methyl]phenyl]-1-tridecyl-urea Openeye Name: 1-[4-[[4-[carbamoyl(tridecyl)amino]phenyl]methyl]phenyl]-1-tridecyl-urea CAS Name: 1-[4-[[4-[carbamoyl(tridecyl)amino]phenyl]methyl]phenyl]-1-tridecylurea IUPAC Name: 1-[4-[[4-[carbamoyl(tridecyl)amino]phenyl]methyl]phenyl]-1-tridecylurea Traditional Name: 1-[4-[4-[carbamoyl(tridecyl)amino]benzyl]phenyl]-1-tridecyl-urea Formula: C41H68N4O2 MolecularWeight: 649.00422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCN(C1=CC=C(C=C1)CC2=CC=C(C=C2)N(CCCCCCCCCCCCC)C(=O)N)C(=O)N

Isomeric SMILES

CCCCCCCCCCCCCN(C1=CC=C(C=C1)CC2=CC=C(C=C2)N(CCCCCCCCCCCCC)C(=O)N)C(=O)N

InChI

InChI=1S/C41H68N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-33-44(40(42)46)38-29-25-36(26-30-38)35-37-27-31-39(32-28-37)45(41(43)47)34-24-22-20-18-16-14-12-10-8-6-4-2/h25-32H,3-24,33-35H2,1-2H3,(H2,42,46)(H2,43,47)