1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-fluoranyl-3-(trifluoromethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-fluoranyl-3-(trifluoromethyl)phenyl]methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]thiourea Traditional Name: 1-[2-fluoro-3-(trifluoromethyl)benzyl]-3-piperonyl-thiourea Formula: C17H14F4N2O2S MolecularWeight: 386.363873

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14F4N2O2S/c18-15-11(2-1-3-12(15)17(19,20)21)8-23-16(26)22-7-10-4-5-13-14(6-10)25-9-24-13/h1-6H,7-9H2,(H2,22,23,26)