2-[[4-(4-bromanylphenoxy)phenyl]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-(4-bromanylphenoxy)phenyl]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(4-bromophenoxy)phenyl]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-(4-bromophenoxy)anilino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(4-bromophenoxy)phenyl]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[4-(4-bromophenoxy)phenyl]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C17H21BrN3OS+ MolecularWeight: 395.33714

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NC1=CC=C(C=C1)OC2=CC=C(C=C2)Br

Isomeric SMILES

C[NH+](C)CCNC(=S)NC1=CC=C(C=C1)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H20BrN3OS/c1-21(2)12-11-19-17(23)20-14-5-9-16(10-6-14)22-15-7-3-13(18)4-8-15/h3-10H,11-12H2,1-2H3,(H2,19,20,23)/p+1