1-(1,3-benzodioxol-5-ylmethyl)-3-[[3-(trifluoromethyloxy)phenyl]methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[3-(trifluoromethyloxy)phenyl]methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]thiourea Traditional Name: 1-piperonyl-3-[3-(trifluoromethoxy)benzyl]thiourea Formula: C17H15F3N2O3S MolecularWeight: 384.37281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15F3N2O3S/c18-17(19,20)25-13-3-1-2-11(6-13)8-21-16(26)22-9-12-4-5-14-15(7-12)24-10-23-14/h1-7H,8-10H2,(H2,21,22,26)