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

Systemtic Name: 2-[[(4-fluorophenyl)carbonylamino]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(4-fluorobenzoyl)amino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[(4-fluorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(4-fluorobenzoyl)amino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[(4-fluorobenzoyl)amino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C12H18FN4OS+ MolecularWeight: 285.360923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17FN4OS/c1-17(2)8-7-14-12(19)16-15-11(18)9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3,(H,15,18)(H2,14,16,19)/p+1