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

Systemtic Name: [4-[(4-bromophenyl)methoxy]-3-methoxy-phenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium Openeye Name: (allylcarbamothioylamino)-[[4-[(4-bromophenyl)methoxy]-3-methoxy-phenyl]methylene]ammonium CAS Name: [4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]ammonium IUPAC Name: [4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium Traditional Name: (allylthiocarbamoylamino)-[4-(4-bromobenzyl)oxy-3-methoxy-benzylidene]ammonium Formula: C19H21BrN3O2S+ MolecularWeight: 435.35794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O2S/c1-3-10-21-19(26)23-22-12-15-6-9-17(18(11-15)24-2)25-13-14-4-7-16(20)8-5-14/h3-9,11-12H,1,10,13H2,2H3,(H2,21,23,26)/p+1