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

Systemtic Name: [4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]methylidene-(phenylcarbamothioylamino)azanium Openeye Name: [4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene-(phenylcarbamothioylamino)ammonium CAS Name: [[anilino(sulfanylidene)methyl]amino]-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]ammonium IUPAC Name: [4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene-(phenylcarbamothioylamino)azanium Traditional Name: [4-(3-chlorobenzyl)oxy-3-methoxy-benzylidene]-(phenylthiocarbamoylamino)ammonium Formula: C22H21ClN3O2S+ MolecularWeight: 426.93904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=[NH+]NC(=S)NC2=CC=CC=C2)OCC3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C=[NH+]NC(=S)NC2=CC=CC=C2)OCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H20ClN3O2S/c1-27-21-13-16(14-24-26-22(29)25-19-8-3-2-4-9-19)10-11-20(21)28-15-17-6-5-7-18(23)12-17/h2-14H,15H2,1H3,(H2,25,26,29)/p+1