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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-piperonyl-3-[4-(trifluoromethyl)phenyl]thiourea Formula: C16H13F3N2O2S MolecularWeight: 354.34683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13F3N2O2S/c17-16(18,19)11-2-4-12(5-3-11)21-15(24)20-8-10-1-6-13-14(7-10)23-9-22-13/h1-7H,8-9H2,(H2,20,21,24)