1-(1,3-benzodioxol-5-yl)-3-[[3-(trifluoromethyl)phenyl]amino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[[3-(trifluoromethyl)phenyl]amino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(trifluoromethyl)anilino]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(trifluoromethyl)anilino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(trifluoromethyl)anilino]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(trifluoromethyl)anilino]thiourea Formula: C15H12F3N3O2S MolecularWeight: 355.33489

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NNC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NNC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C15H12F3N3O2S/c16-15(17,18)9-2-1-3-11(6-9)20-21-14(24)19-10-4-5-12-13(7-10)23-8-22-12/h1-7,20H,8H2,(H2,19,21,24)