4-[[3-(4-bromophenyl)-2-sulfanylidene-imidazol-1-yl]methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide

Systemtic Name: 4-[[3-(4-bromophenyl)-2-sulfanylidene-imidazol-1-yl]methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide Openeye Name: 4-[[3-(4-bromophenyl)-2-thioxo-imidazol-1-yl]methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide CAS Name: 4-[[3-(4-bromophenyl)-2-sulfanylidene-1-imidazolyl]methyl]-N,N-diethyl-1-piperazin-4-iumsulfonamide IUPAC Name: 4-[[3-(4-bromophenyl)-2-sulfanylideneimidazol-1-yl]methyl]-N,N-diethylpiperazin-4-ium-1-sulfonamide Traditional Name: 4-[[3-(4-bromophenyl)-2-thioxo-4-imidazolin-1-yl]methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide Formula: C18H27BrN5O2S2+ MolecularWeight: 489.47328

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CN2C=CN(C2=S)C3=CC=C(C=C3)Br

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CN2C=CN(C2=S)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H26BrN5O2S2/c1-3-22(4-2)28(25,26)23-12-9-20(10-13-23)15-21-11-14-24(18(21)27)17-7-5-16(19)6-8-17/h5-8,11,14H,3-4,9-10,12-13,15H2,1-2H3/p+1