3-[[[(2R)-2-(2-fluoranylphenoxy)propanoyl]amino]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[[(2R)-2-(2-fluoranylphenoxy)propanoyl]amino]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(2R)-2-(2-fluorophenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C15H24FN4O2S+ MolecularWeight: 343.440063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NCCC[NH+](C)C)OC1=CC=CC=C1F

Isomeric SMILES

C[C@H](C(=O)NNC(=S)NCCC[NH+](C)C)OC1=CC=CC=C1F

InChI

InChI=1S/C15H23FN4O2S/c1-11(22-13-8-5-4-7-12(13)16)14(21)18-19-15(23)17-9-6-10-20(2)3/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,18,21)(H2,17,19,23)/p+1/t11-/m1/s1