3-(3-chloranyl-4-methyl-phenyl)-1-(phenylmethyl)-1-tridecyl-urea

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-1-(phenylmethyl)-1-tridecyl-urea Openeye Name: 1-benzyl-3-(3-chloro-4-methyl-phenyl)-1-tridecyl-urea CAS Name: 3-(3-chloro-4-methylphenyl)-1-(phenylmethyl)-1-tridecylurea IUPAC Name: 1-benzyl-3-(3-chloro-4-methylphenyl)-1-tridecylurea Traditional Name: 1-benzyl-3-(3-chloro-4-methyl-phenyl)-1-tridecyl-urea Formula: C28H41ClN2O MolecularWeight: 457.09094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41ClN2O/c1-3-4-5-6-7-8-9-10-11-12-16-21-31(23-25-17-14-13-15-18-25)28(32)30-26-20-19-24(2)27(29)22-26/h13-15,17-20,22H,3-12,16,21,23H2,1-2H3,(H,30,32)