2-[[3-(4-fluorophenyl)sulfanylpropanoylamino]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-(4-fluorophenyl)sulfanylpropanoylamino]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-(4-fluorophenyl)sulfanylpropanoylamino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[3-[(4-fluorophenyl)thio]-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-(4-fluorophenyl)sulfanylpropanoylamino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[3-[(4-fluorophenyl)thio]propanoylamino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C14H22FN4OS2+ MolecularWeight: 345.479083

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NNC(=O)CCSC1=CC=C(C=C1)F

Isomeric SMILES

C[NH+](C)CCNC(=S)NNC(=O)CCSC1=CC=C(C=C1)F

InChI

InChI=1S/C14H21FN4OS2/c1-19(2)9-8-16-14(21)18-17-13(20)7-10-22-12-5-3-11(15)4-6-12/h3-6H,7-10H2,1-2H3,(H,17,20)(H2,16,18,21)/p+1