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

Systemtic Name: 1-(1,3-benzodioxol-5-ylcarbonylamino)-3-[2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-[2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-[2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-[2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(piperonyloylamino)-3-[2-(trifluoromethyl)phenyl]thiourea Formula: C16H12F3N3O3S MolecularWeight: 383.34499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12F3N3O3S/c17-16(18,19)10-3-1-2-4-11(10)20-15(26)22-21-14(23)9-5-6-12-13(7-9)25-8-24-12/h1-7H,8H2,(H,21,23)(H2,20,22,26)