1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloranyl-2-fluoranyl-phenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloranyl-2-fluoranyl-phenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-2-fluoro-phenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-2-fluorophenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-2-fluorophenyl)thiourea Traditional Name: 1-(5-chloro-2-fluoro-phenyl)-3-piperonyl-thiourea Formula: C15H12ClFN2O2S MolecularWeight: 338.784383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=C(C=CC(=C3)Cl)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=C(C=CC(=C3)Cl)F

InChI

InChI=1S/C15H12ClFN2O2S/c16-10-2-3-11(17)12(6-10)19-15(22)18-7-9-1-4-13-14(5-9)21-8-20-13/h1-6H,7-8H2,(H2,18,19,22)