[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxy-phenyl]methylidene-(methylcarbamothioylamino)azanium

Systemtic Name: [4-[(3,4-dichlorophenyl)methoxy]-3-ethoxy-phenyl]methylidene-(methylcarbamothioylamino)azanium Openeye Name: [4-[(3,4-dichlorophenyl)methoxy]-3-ethoxy-phenyl]methylene-(methylcarbamothioylamino)ammonium CAS Name: [4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene-[[methylamino(sulfanylidene)methyl]amino]ammonium IUPAC Name: [4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene-(methylcarbamothioylamino)azanium Traditional Name: [4-(3,4-dichlorobenzyl)oxy-3-ethoxy-benzylidene]-(methylthiocarbamoylamino)ammonium Formula: C18H20Cl2N3O2S+ MolecularWeight: 413.3413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19Cl2N3O2S/c1-3-24-17-9-12(10-22-23-18(26)21-2)5-7-16(17)25-11-13-4-6-14(19)15(20)8-13/h4-10H,3,11H2,1-2H3,(H2,21,23,26)/p+1