1,3-benzodioxol-5-yl-[4-[[3-(3,4-dimethylphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[[3-(3,4-dimethylphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[[3-(3,4-dimethylphenyl)-2-thioxo-imidazol-1-yl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[[3-(3,4-dimethylphenyl)-2-sulfanylidene-1-imidazolyl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[[3-(3,4-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[[3-(3,4-dimethylphenyl)-2-thioxo-4-imidazolin-1-yl]methyl]piperazin-4-ium-1-yl]methanone Formula: C24H27N4O3S+ MolecularWeight: 451.56118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=CN(C2=S)C[NH+]3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CN(C2=S)C[NH+]3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C24H26N4O3S/c1-17-3-5-20(13-18(17)2)28-12-11-27(24(28)32)15-25-7-9-26(10-8-25)23(29)19-4-6-21-22(14-19)31-16-30-21/h3-6,11-14H,7-10,15-16H2,1-2H3/p+1