3-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-1-phenyl-1-(phenylmethyl)urea

Systemtic Name: 3-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-1-phenyl-1-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-1-phenyl-urea CAS Name: 3-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-1-phenyl-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-1-phenylurea Traditional Name: 1-benzyl-3-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-1-phenyl-urea Formula: C22H16ClF3N2O3 MolecularWeight: 448.82225

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=O)NC3(OC4=C(O3)C=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=O)NC3(OC4=C(O3)C=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C22H16ClF3N2O3/c23-16-11-12-18-19(13-16)31-22(30-18,21(24,25)26)27-20(29)28(17-9-5-2-6-10-17)14-15-7-3-1-4-8-15/h1-13H,14H2,(H,27,29)