2-[[2-(3-bromanylphenoxy)ethanoylamino]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(3-bromanylphenoxy)ethanoylamino]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[[2-(3-bromophenoxy)acetyl]amino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[2-(3-bromophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[[2-(3-bromophenoxy)acetyl]amino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[[2-(3-bromophenoxy)acetyl]amino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C13H20BrN4O2S+ MolecularWeight: 376.2925

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NNC(=O)COC1=CC(=CC=C1)Br

Isomeric SMILES

C[NH+](C)CCNC(=S)NNC(=O)COC1=CC(=CC=C1)Br

InChI

InChI=1S/C13H19BrN4O2S/c1-18(2)7-6-15-13(21)17-16-12(19)9-20-11-5-3-4-10(14)8-11/h3-5,8H,6-7,9H2,1-2H3,(H,16,19)(H2,15,17,21)/p+1