(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene-(prop-2-enylcarbamothioylamino)azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene-(prop-2-enylcarbamothioylamino)azanium Openeye Name: (allylcarbamothioylamino)-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methylene]ammonium CAS Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]ammonium IUPAC Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene-(prop-2-enylcarbamothioylamino)azanium Traditional Name: (allylthiocarbamoylamino)-(4-benzoxy-3-bromo-5-methoxy-benzylidene)ammonium Formula: C19H21BrN3O2S+ MolecularWeight: 435.35794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=[NH+]NC(=S)NCC=C)Br)OCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C(=CC(=C1)C=[NH+]NC(=S)NCC=C)Br)OCC2=CC=CC=C2

InChI

InChI=1S/C19H20BrN3O2S/c1-3-9-21-19(26)23-22-12-15-10-16(20)18(17(11-15)24-2)25-13-14-7-5-4-6-8-14/h3-8,10-12H,1,9,13H2,2H3,(H2,21,23,26)/p+1