2-[[[(2S)-2-(4-fluoranylphenoxy)propanoyl]amino]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[[(2S)-2-(4-fluoranylphenoxy)propanoyl]amino]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[(2S)-2-(4-fluorophenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C14H22FN4O2S+ MolecularWeight: 329.413483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NCC[NH+](C)C)OC1=CC=C(C=C1)F

Isomeric SMILES

C[C@@H](C(=O)NNC(=S)NCC[NH+](C)C)OC1=CC=C(C=C1)F

InChI

InChI=1S/C14H21FN4O2S/c1-10(21-12-6-4-11(15)5-7-12)13(20)17-18-14(22)16-8-9-19(2)3/h4-7,10H,8-9H2,1-3H3,(H,17,20)(H2,16,18,22)/p+1/t10-/m0/s1