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

Systemtic Name: 3-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(difluoromethylsulfanyl)phenyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-(difluoromethylthio)anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(difluoromethylsulfanyl)phenyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[4-(difluoromethylthio)phenyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C13H20F2N3S2+ MolecularWeight: 320.444806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19F2N3S2/c1-18(2)9-3-8-16-13(19)17-10-4-6-11(7-5-10)20-12(14)15/h4-7,12H,3,8-9H2,1-2H3,(H2,16,17,19)/p+1