1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-chloranyl-2-fluoranyl-phenyl)methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-chloranyl-2-fluoranyl-phenyl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-chloro-2-fluoro-phenyl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-chloro-2-fluorophenyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-chloro-2-fluorophenyl)methyl]thiourea Traditional Name: 1-(4-chloro-2-fluoro-benzyl)-3-piperonyl-thiourea Formula: C16H14ClFN2O2S MolecularWeight: 352.810963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClFN2O2S/c17-12-3-2-11(13(18)6-12)8-20-16(23)19-7-10-1-4-14-15(5-10)22-9-21-14/h1-6H,7-9H2,(H2,19,20,23)