1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-bromanyl-4-fluoranyl-phenyl)methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-bromanyl-4-fluoranyl-phenyl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-bromo-4-fluoro-phenyl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-bromo-4-fluorophenyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-bromo-4-fluorophenyl)methyl]thiourea Traditional Name: 1-(3-bromo-4-fluoro-benzyl)-3-piperonyl-thiourea Formula: C16H14BrFN2O2S MolecularWeight: 397.261963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrFN2O2S/c17-12-5-10(1-3-13(12)18)7-19-16(23)20-8-11-2-4-14-15(6-11)22-9-21-14/h1-6H,7-9H2,(H2,19,20,23)