(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene-(phenylcarbamothioylamino)azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene-(phenylcarbamothioylamino)azanium Openeye Name: (4-benzyloxy-3-bromo-5-methoxy-phenyl)methylene-(phenylcarbamothioylamino)ammonium CAS Name: [[anilino(sulfanylidene)methyl]amino]-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]ammonium IUPAC Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene-(phenylcarbamothioylamino)azanium Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzylidene)-(phenylthiocarbamoylamino)ammonium Formula: C22H21BrN3O2S+ MolecularWeight: 471.39004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=[NH+]NC(=S)NC2=CC=CC=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C=[NH+]NC(=S)NC2=CC=CC=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C22H20BrN3O2S/c1-27-20-13-17(14-24-26-22(29)25-18-10-6-3-7-11-18)12-19(23)21(20)28-15-16-8-4-2-5-9-16/h2-14H,15H2,1H3,(H2,25,26,29)/p+1