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

Systemtic Name: [4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-phenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium Openeye Name: (allylcarbamothioylamino)-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-phenyl]methylene]ammonium CAS Name: [4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]ammonium IUPAC Name: [4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium Traditional Name: (allylthiocarbamoylamino)-[4-(2,4-dichlorobenzyl)oxy-3-ethoxy-benzylidene]ammonium Formula: C20H22Cl2N3O2S+ MolecularWeight: 439.37858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21Cl2N3O2S/c1-3-9-23-20(28)25-24-12-14-5-8-18(19(10-14)26-4-2)27-13-15-6-7-16(21)11-17(15)22/h3,5-8,10-12H,1,4,9,13H2,2H3,(H2,23,25,28)/p+1