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

Systemtic Name: 4-[[3-(2,4-dimethylphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide Openeye Name: 4-[[3-(2,4-dimethylphenyl)-2-thioxo-imidazol-1-yl]methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide CAS Name: 4-[[3-(2,4-dimethylphenyl)-2-sulfanylidene-1-imidazolyl]methyl]-N,N-diethyl-1-piperazin-4-iumsulfonamide IUPAC Name: 4-[[3-(2,4-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]-N,N-diethylpiperazin-4-ium-1-sulfonamide Traditional Name: 4-[[3-(2,4-dimethylphenyl)-2-thioxo-4-imidazolin-1-yl]methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide Formula: C20H32N5O2S2+ MolecularWeight: 438.63038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N5O2S2/c1-5-23(6-2)29(26,27)24-12-9-21(10-13-24)16-22-11-14-25(20(22)28)19-8-7-17(3)15-18(19)4/h7-8,11,14-15H,5-6,9-10,12-13,16H2,1-4H3/p+1