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

Systemtic Name: 2-[[(4-fluorophenyl)methylcarbamothioylamino]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(4-fluorophenyl)methylcarbamothioylamino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(4-fluorophenyl)methylcarbamothioylamino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[(4-fluorobenzyl)thiocarbamoylamino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C13H21FN5S2+ MolecularWeight: 330.467743

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NNC(=S)NCC1=CC=C(C=C1)F

Isomeric SMILES

C[NH+](C)CCNC(=S)NNC(=S)NCC1=CC=C(C=C1)F

InChI

InChI=1S/C13H20FN5S2/c1-19(2)8-7-15-12(20)17-18-13(21)16-9-10-3-5-11(14)6-4-10/h3-6H,7-9H2,1-2H3,(H2,15,17,20)(H2,16,18,21)/p+1