3-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[2-(4-bromophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[[2-(4-bromophenoxy)acetyl]amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C14H22BrN4O2S+ MolecularWeight: 390.31908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21BrN4O2S/c1-19(2)9-3-8-16-14(22)18-17-13(20)10-21-12-6-4-11(15)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,17,20)(H2,16,18,22)/p+1