1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-3-[2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[(E)-piperonylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea Formula: C16H12F3N3O2S MolecularWeight: 367.34559

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NNC(=S)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/NC(=S)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C16H12F3N3O2S/c17-16(18,19)11-3-1-2-4-12(11)21-15(25)22-20-8-10-5-6-13-14(7-10)24-9-23-13/h1-8H,9H2,(H2,21,22,25)/b20-8+