1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromanyl-2-fluoranyl-phenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromanyl-2-fluoranyl-phenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-2-fluoro-phenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-2-fluorophenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-2-fluorophenyl)thiourea Traditional Name: 1-(4-bromo-2-fluoro-phenyl)-3-piperonyl-thiourea Formula: C15H12BrFN2O2S MolecularWeight: 383.235383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrFN2O2S/c16-10-2-3-12(11(17)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)