3-[[[2,4-bis(fluoranyl)phenyl]carbamothioylamino]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[[2,4-bis(fluoranyl)phenyl]carbamothioylamino]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(2,4-difluorophenyl)carbamothioylamino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(2,4-difluoroanilino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(2,4-difluorophenyl)carbamothioylamino]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[(2,4-difluorophenyl)thiocarbamoylamino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C13H20F2N5S2+ MolecularWeight: 348.458206

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NNC(=S)NC1=C(C=C(C=C1)F)F

Isomeric SMILES

C[NH+](C)CCCNC(=S)NNC(=S)NC1=C(C=C(C=C1)F)F

InChI

InChI=1S/C13H19F2N5S2/c1-20(2)7-3-6-16-12(21)18-19-13(22)17-11-5-4-9(14)8-10(11)15/h4-5,8H,3,6-7H2,1-2H3,(H2,16,18,21)(H2,17,19,22)/p+1