(3-bromanyl-4,5-dimethoxy-phenyl)methylidene-(prop-2-enylcarbamothioylamino)azanium

Systemtic Name: (3-bromanyl-4,5-dimethoxy-phenyl)methylidene-(prop-2-enylcarbamothioylamino)azanium Openeye Name: (allylcarbamothioylamino)-[(3-bromo-4,5-dimethoxy-phenyl)methylene]ammonium CAS Name: (3-bromo-4,5-dimethoxyphenyl)methylidene-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]ammonium IUPAC Name: (3-bromo-4,5-dimethoxyphenyl)methylidene-(prop-2-enylcarbamothioylamino)azanium Traditional Name: (allylthiocarbamoylamino)-(3-bromo-4,5-dimethoxy-benzylidene)ammonium Formula: C13H17BrN3O2S+ MolecularWeight: 359.26198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=[NH+]NC(=S)NCC=C)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=[NH+]NC(=S)NCC=C)Br)OC

InChI

InChI=1S/C13H16BrN3O2S/c1-4-5-15-13(20)17-16-8-9-6-10(14)12(19-3)11(7-9)18-2/h4,6-8H,1,5H2,2-3H3,(H2,15,17,20)/p+1