2-[[4-[2,5-bis(bromanyl)phenyl]sulfonylpiperazin-1-yl]carbothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-[2,5-bis(bromanyl)phenyl]sulfonylpiperazin-1-yl]carbothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(2,5-dibromophenyl)sulfonylpiperazine-1-carbothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-(2,5-dibromophenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(2,5-dibromophenyl)sulfonylpiperazine-1-carbothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-(2,5-dibromophenyl)sulfonylpiperazine-1-carbothioyl]amino]ethyl-dimethyl-ammonium Formula: C15H23Br2N4O2S2+ MolecularWeight: 515.30672

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Br)Br

Isomeric SMILES

C[NH+](C)CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Br)Br

InChI

InChI=1S/C15H22Br2N4O2S2/c1-19(2)6-5-18-15(24)20-7-9-21(10-8-20)25(22,23)14-11-12(16)3-4-13(14)17/h3-4,11H,5-10H2,1-2H3,(H,18,24)/p+1