3-[[(4-fluorophenyl)methylcarbamothioylamino]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(4-fluorophenyl)methylcarbamothioylamino]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(4-fluorophenyl)methylcarbamothioylamino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(4-fluorophenyl)methylcarbamothioylamino]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[(4-fluorobenzyl)thiocarbamoylamino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C14H23FN5S2+ MolecularWeight: 344.494323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22FN5S2/c1-20(2)9-3-8-16-13(21)18-19-14(22)17-10-11-4-6-12(15)7-5-11/h4-7H,3,8-10H2,1-2H3,(H2,16,18,21)(H2,17,19,22)/p+1