[2-[(4-bromophenyl)methoxy]-3-methoxy-phenyl]methylidene-(phenylcarbamothioylamino)azanium

Systemtic Name: [2-[(4-bromophenyl)methoxy]-3-methoxy-phenyl]methylidene-(phenylcarbamothioylamino)azanium Openeye Name: [2-[(4-bromophenyl)methoxy]-3-methoxy-phenyl]methylene-(phenylcarbamothioylamino)ammonium CAS Name: [[anilino(sulfanylidene)methyl]amino]-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]ammonium IUPAC Name: [2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene-(phenylcarbamothioylamino)azanium Traditional Name: [2-(4-bromobenzyl)oxy-3-methoxy-benzylidene]-(phenylthiocarbamoylamino)ammonium Formula: C22H21BrN3O2S+ MolecularWeight: 471.39004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC=C(C=C2)Br)C=[NH+]NC(=S)NC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=C(C=C2)Br)C=[NH+]NC(=S)NC3=CC=CC=C3

InChI

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