2-[[5-chloranyl-2-(4-ethoxyphenoxy)phenyl]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[5-chloranyl-2-(4-ethoxyphenoxy)phenyl]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[5-chloro-2-(4-ethoxyphenoxy)phenyl]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[5-chloro-2-(4-ethoxyphenoxy)anilino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[5-chloro-2-(4-ethoxyphenoxy)phenyl]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[5-chloro-2-(4-ethoxyphenoxy)phenyl]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C19H25ClN3O2S+ MolecularWeight: 394.9387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN3O2S/c1-4-24-15-6-8-16(9-7-15)25-18-10-5-14(20)13-17(18)22-19(26)21-11-12-23(2)3/h5-10,13H,4,11-12H2,1-3H3,(H2,21,22,26)/p+1