3-[[2-(4-ethoxyphenoxy)phenyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-(4-ethoxyphenoxy)phenyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(4-ethoxyphenoxy)phenyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-(4-ethoxyphenoxy)anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(4-ethoxyphenoxy)phenyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[2-(4-ethoxyphenoxy)phenyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=CC=CC=C2NC(=S)NCCC[NH+](C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC=CC=C2NC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C20H27N3O2S/c1-4-24-16-10-12-17(13-11-16)25-19-9-6-5-8-18(19)22-20(26)21-14-7-15-23(2)3/h5-6,8-13H,4,7,14-15H2,1-3H3,(H2,21,22,26)/p+1