(4-hexoxy-3-methoxy-phenyl)methylidene-(prop-2-enylcarbamothioylamino)azanium

Systemtic Name: (4-hexoxy-3-methoxy-phenyl)methylidene-(prop-2-enylcarbamothioylamino)azanium Openeye Name: (allylcarbamothioylamino)-[(4-hexoxy-3-methoxy-phenyl)methylene]ammonium CAS Name: (4-hexoxy-3-methoxyphenyl)methylidene-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]ammonium IUPAC Name: (4-hexoxy-3-methoxyphenyl)methylidene-(prop-2-enylcarbamothioylamino)azanium Traditional Name: (allylthiocarbamoylamino)-(4-hexoxy-3-methoxy-benzylidene)ammonium Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=[NH+]NC(=S)NCC=C)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C=[NH+]NC(=S)NCC=C)OC

InChI

InChI=1S/C18H27N3O2S/c1-4-6-7-8-12-23-16-10-9-15(13-17(16)22-3)14-20-21-18(24)19-11-5-2/h5,9-10,13-14H,2,4,6-8,11-12H2,1,3H3,(H2,19,21,24)/p+1