[4-[(4-bromophenyl)methoxy]-3-methoxy-phenyl]methylidene-(phenylcarbamothioylamino)azanium

Systemtic Name: [4-[(4-bromophenyl)methoxy]-3-methoxy-phenyl]methylidene-(phenylcarbamothioylamino)azanium Openeye Name: [4-[(4-bromophenyl)methoxy]-3-methoxy-phenyl]methylene-(phenylcarbamothioylamino)ammonium CAS Name: [[anilino(sulfanylidene)methyl]amino]-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]ammonium IUPAC Name: [4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene-(phenylcarbamothioylamino)azanium Traditional Name: [4-(4-bromobenzyl)oxy-3-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)OCC3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

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