3-(4-chlorophenyl)-1-(phenylmethyl)-1-tridecyl-urea

Systemtic Name: 3-(4-chlorophenyl)-1-(phenylmethyl)-1-tridecyl-urea Openeye Name: 1-benzyl-3-(4-chlorophenyl)-1-tridecyl-urea CAS Name: 3-(4-chlorophenyl)-1-(phenylmethyl)-1-tridecylurea IUPAC Name: 1-benzyl-3-(4-chlorophenyl)-1-tridecylurea Traditional Name: 1-benzyl-3-(4-chlorophenyl)-1-tridecyl-urea Formula: C27H39ClN2O MolecularWeight: 443.06436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCN(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCCCCCCCCN(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C27H39ClN2O/c1-2-3-4-5-6-7-8-9-10-11-15-22-30(23-24-16-13-12-14-17-24)27(31)29-26-20-18-25(28)19-21-26/h12-14,16-21H,2-11,15,22-23H2,1H3,(H,29,31)