[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium

Systemtic Name: [3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium Openeye Name: (allylcarbamothioylamino)-[(3-ethoxy-4-isobutoxy-phenyl)methylene]ammonium CAS Name: [3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]ammonium IUPAC Name: [3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium Traditional Name: (allylthiocarbamoylamino)-(3-ethoxy-4-isobutoxy-benzylidene)ammonium Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=[NH+]NC(=S)NCC=C)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=[NH+]NC(=S)NCC=C)OCC(C)C

InChI

InChI=1S/C17H25N3O2S/c1-5-9-18-17(23)20-19-11-14-7-8-15(22-12-13(3)4)16(10-14)21-6-2/h5,7-8,10-11,13H,1,6,9,12H2,2-4H3,(H2,18,20,23)/p+1