3-[[[(2S)-2-(3-bromanylphenoxy)propanoyl]amino]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[[(2S)-2-(3-bromanylphenoxy)propanoyl]amino]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[[(2S)-2-(3-bromophenoxy)propanoyl]amino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(2S)-2-(3-bromophenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[[(2S)-2-(3-bromophenoxy)propanoyl]amino]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[[(2S)-2-(3-bromophenoxy)propanoyl]amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C15H24BrN4O2S+ MolecularWeight: 404.34566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NCCC[NH+](C)C)OC1=CC(=CC=C1)Br

Isomeric SMILES

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

InChI

InChI=1S/C15H23BrN4O2S/c1-11(22-13-7-4-6-12(16)10-13)14(21)18-19-15(23)17-8-5-9-20(2)3/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,18,21)(H2,17,19,23)/p+1/t11-/m0/s1