1-[(4-butylphenyl)methyl]-1-(6-cyanohexyl)-3-[2,4,6-tris(chloranyl)phenyl]urea

Systemtic Name: 1-[(4-butylphenyl)methyl]-1-(6-cyanohexyl)-3-[2,4,6-tris(chloranyl)phenyl]urea Openeye Name: 1-[(4-butylphenyl)methyl]-1-(6-cyanohexyl)-3-(2,4,6-trichlorophenyl)urea CAS Name: 1-[(4-butylphenyl)methyl]-1-(6-cyanohexyl)-3-(2,4,6-trichlorophenyl)urea IUPAC Name: 1-[(4-butylphenyl)methyl]-1-(6-cyanohexyl)-3-(2,4,6-trichlorophenyl)urea Traditional Name: 1-(4-butylbenzyl)-1-(6-cyanohexyl)-3-(2,4,6-trichlorophenyl)urea Formula: C25H30Cl3N3O MolecularWeight: 494.8842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN(CCCCCCC#N)C(=O)NC2=C(C=C(C=C2Cl)Cl)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN(CCCCCCC#N)C(=O)NC2=C(C=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C25H30Cl3N3O/c1-2-3-9-19-10-12-20(13-11-19)18-31(15-8-6-4-5-7-14-29)25(32)30-24-22(27)16-21(26)17-23(24)28/h10-13,16-17H,2-9,15,18H2,1H3,(H,30,32)