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

Systemtic Name: (4-butoxy-3-methoxy-phenyl)methylidene-(prop-2-enylcarbamothioylamino)azanium Openeye Name: (allylcarbamothioylamino)-[(4-butoxy-3-methoxy-phenyl)methylene]ammonium CAS Name: (4-butoxy-3-methoxyphenyl)methylidene-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]ammonium IUPAC Name: (4-butoxy-3-methoxyphenyl)methylidene-(prop-2-enylcarbamothioylamino)azanium Traditional Name: (allylthiocarbamoylamino)-(4-butoxy-3-methoxy-benzylidene)ammonium Formula: C16H24N3O2S+ MolecularWeight: 322.44566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=[NH+]NC(=S)NCC=C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C=[NH+]NC(=S)NCC=C)OC

InChI

InChI=1S/C16H23N3O2S/c1-4-6-10-21-14-8-7-13(11-15(14)20-3)12-18-19-16(22)17-9-5-2/h5,7-8,11-12H,2,4,6,9-10H2,1,3H3,(H2,17,19,22)/p+1