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

Systemtic Name: 3-[[4-(4-ethoxyphenoxy)phenyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(4-ethoxyphenoxy)phenyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-(4-ethoxyphenoxy)anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(4-ethoxyphenoxy)phenyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[4-(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=C(C=C2)NC(=S)NCCC[NH+](C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C20H27N3O2S/c1-4-24-17-10-12-19(13-11-17)25-18-8-6-16(7-9-18)22-20(26)21-14-5-15-23(2)3/h6-13H,4-5,14-15H2,1-3H3,(H2,21,22,26)/p+1