2-[[(4-fluorophenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(4-fluorophenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(4-fluorophenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[(4-fluoroanilino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(4-fluorophenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[(4-fluorophenyl)thiocarbamoylamino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C12H19FN5S2+ MolecularWeight: 316.441163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18FN5S2/c1-18(2)8-7-14-11(19)16-17-12(20)15-10-5-3-9(13)4-6-10/h3-6H,7-8H2,1-2H3,(H2,14,16,19)(H2,15,17,20)/p+1