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

Systemtic Name: [4-[(4-bromophenyl)methoxy]-3-ethoxy-phenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium Openeye Name: (allylcarbamothioylamino)-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-phenyl]methylene]ammonium CAS Name: [4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylidene-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]ammonium IUPAC Name: [4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium Traditional Name: (allylthiocarbamoylamino)-[4-(4-bromobenzyl)oxy-3-ethoxy-benzylidene]ammonium Formula: C20H23BrN3O2S+ MolecularWeight: 449.38452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=[NH+]NC(=S)NCC=C)OCC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=[NH+]NC(=S)NCC=C)OCC2=CC=C(C=C2)Br

InChI

InChI=1S/C20H22BrN3O2S/c1-3-11-22-20(27)24-23-13-16-7-10-18(19(12-16)25-4-2)26-14-15-5-8-17(21)9-6-15/h3,5-10,12-13H,1,4,11,14H2,2H3,(H2,22,24,27)/p+1