1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(5-bromanyl-2-fluoranyl-phenyl)methylideneamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(5-bromanyl-2-fluoranyl-phenyl)methylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(5-bromo-2-fluoro-phenyl)methyleneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]thiourea Traditional Name: 1-[(Z)-(5-bromo-2-fluoro-benzylidene)amino]-3-piperonyl-thiourea Formula: C16H13BrFN3O2S MolecularWeight: 410.260723

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NN=CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)N/N=C\C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C16H13BrFN3O2S/c17-12-2-3-13(18)11(6-12)8-20-21-16(24)19-7-10-1-4-14-15(5-10)23-9-22-14/h1-6,8H,7,9H2,(H2,19,21,24)/b20-8-