(4-hexoxy-3-methoxy-phenyl)methylidene-(phenylcarbamothioylamino)azanium

Systemtic Name: (4-hexoxy-3-methoxy-phenyl)methylidene-(phenylcarbamothioylamino)azanium Openeye Name: (4-hexoxy-3-methoxy-phenyl)methylene-(phenylcarbamothioylamino)ammonium CAS Name: [[anilino(sulfanylidene)methyl]amino]-[(4-hexoxy-3-methoxyphenyl)methylidene]ammonium IUPAC Name: (4-hexoxy-3-methoxyphenyl)methylidene-(phenylcarbamothioylamino)azanium Traditional Name: (4-hexoxy-3-methoxy-benzylidene)-(phenylthiocarbamoylamino)ammonium Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=[NH+]NC(=S)NC2=CC=CC=C2)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C=[NH+]NC(=S)NC2=CC=CC=C2)OC

InChI

InChI=1S/C21H27N3O2S/c1-3-4-5-9-14-26-19-13-12-17(15-20(19)25-2)16-22-24-21(27)23-18-10-7-6-8-11-18/h6-8,10-13,15-16H,3-5,9,14H2,1-2H3,(H2,23,24,27)/p+1