(3-bromanyl-4-methoxy-phenyl)methylidene-(prop-2-enylcarbamothioylamino)azanium

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)methylidene-(prop-2-enylcarbamothioylamino)azanium Openeye Name: (allylcarbamothioylamino)-[(3-bromo-4-methoxy-phenyl)methylene]ammonium CAS Name: (3-bromo-4-methoxyphenyl)methylidene-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]ammonium IUPAC Name: (3-bromo-4-methoxyphenyl)methylidene-(prop-2-enylcarbamothioylamino)azanium Traditional Name: (allylthiocarbamoylamino)-(3-bromo-4-methoxy-benzylidene)ammonium Formula: C12H15BrN3OS+ MolecularWeight: 329.236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrN3OS/c1-3-6-14-12(18)16-15-8-9-4-5-11(17-2)10(13)7-9/h3-5,7-8H,1,6H2,2H3,(H2,14,16,18)/p+1