1-(1,3-benzodioxol-5-ylmethyl)-3-[[4-chloranyl-3-(trifluoromethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[4-chloranyl-3-(trifluoromethyl)phenyl]methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]thiourea Traditional Name: 1-[4-chloro-3-(trifluoromethyl)benzyl]-3-piperonyl-thiourea Formula: C17H14ClF3N2O2S MolecularWeight: 402.81847

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NCC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NCC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C17H14ClF3N2O2S/c18-13-3-1-10(5-12(13)17(19,20)21)7-22-16(26)23-8-11-2-4-14-15(6-11)25-9-24-14/h1-6H,7-9H2,(H2,22,23,26)