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

Systemtic Name: (3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene-(methylcarbamothioylamino)azanium Openeye Name: (4-benzyloxy-3-bromo-5-methoxy-phenyl)methylene-(methylcarbamothioylamino)ammonium CAS Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene-[[methylamino(sulfanylidene)methyl]amino]ammonium IUPAC Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene-(methylcarbamothioylamino)azanium Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzylidene)-(methylthiocarbamoylamino)ammonium Formula: C17H19BrN3O2S+ MolecularWeight: 409.32066

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N[NH+]=CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)OC

Isomeric SMILES

CNC(=S)N[NH+]=CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C17H18BrN3O2S/c1-19-17(24)21-20-10-13-8-14(18)16(15(9-13)22-2)23-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H2,19,21,24)/p+1