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

Systemtic Name: (3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene-(carbamothioylamino)azanium Openeye Name: (4-benzyloxy-3-bromo-5-methoxy-phenyl)methylene-(carbamothioylamino)ammonium CAS Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene-(carbamothioylamino)ammonium IUPAC Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene-(carbamothioylamino)azanium Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzylidene)-thioureido-ammonium Formula: C16H17BrN3O2S+ MolecularWeight: 395.29408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrN3O2S/c1-21-14-8-12(9-19-20-16(18)23)7-13(17)15(14)22-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H3,18,20,23)/p+1