1-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-3-(furan-2-ylmethyl)thiourea

Systemtic Name: 1-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-3-(furan-2-ylmethyl)thiourea Openeye Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-furylmethyl)thiourea CAS Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-furanylmethyl)thiourea IUPAC Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(furan-2-ylmethyl)thiourea Traditional Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-furfuryl)thiourea Formula: C13H10F2N2O3S MolecularWeight: 312.291906

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=S)NC2=CC3=C(C=C2)OC(O3)(F)F

Isomeric SMILES

C1=COC(=C1)CNC(=S)NC2=CC3=C(C=C2)OC(O3)(F)F

InChI

InChI=1S/C13H10F2N2O3S/c14-13(15)19-10-4-3-8(6-11(10)20-13)17-12(21)16-7-9-2-1-5-18-9/h1-6H,7H2,(H2,16,17,21)