3-[[2-(3-fluoranylphenoxy)ethanoylamino]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-(3-fluoranylphenoxy)ethanoylamino]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[[2-(3-fluorophenoxy)acetyl]amino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[2-(3-fluorophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[[2-(3-fluorophenoxy)acetyl]amino]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[[2-(3-fluorophenoxy)acetyl]amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C14H22FN4O2S+ MolecularWeight: 329.413483

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NNC(=O)COC1=CC(=CC=C1)F

Isomeric SMILES

C[NH+](C)CCCNC(=S)NNC(=O)COC1=CC(=CC=C1)F

InChI

InChI=1S/C14H21FN4O2S/c1-19(2)8-4-7-16-14(22)18-17-13(20)10-21-12-6-3-5-11(15)9-12/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,17,20)(H2,16,18,22)/p+1