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

Systemtic Name: 3-[[4-(4-bromanylphenoxy)phenyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(4-bromophenoxy)phenyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-(4-bromophenoxy)anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(4-bromophenoxy)phenyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[4-(4-bromophenoxy)phenyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C18H23BrN3OS+ MolecularWeight: 409.36372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN3OS/c1-22(2)13-3-12-20-18(24)21-15-6-10-17(11-7-15)23-16-8-4-14(19)5-9-16/h4-11H,3,12-13H2,1-2H3,(H2,20,21,24)/p+1