1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-fluorophenyl)thiourea

Systemtic Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-fluorophenyl)thiourea Openeye Name: 1-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-3-(4-fluorophenyl)thiourea CAS Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-fluorophenyl)thiourea IUPAC Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-fluorophenyl)thiourea Traditional Name: 1-(4-fluorophenyl)-3-[(E)-piperonylideneamino]thiourea Formula: C15H12FN3O2S MolecularWeight: 317.338083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/NC(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C15H12FN3O2S/c16-11-2-4-12(5-3-11)18-15(22)19-17-8-10-1-6-13-14(7-10)21-9-20-13/h1-8H,9H2,(H2,18,19,22)/b17-8+