4-[4-[[3-(2,4-dimethylphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[[3-(2,4-dimethylphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[[3-(2,4-dimethylphenyl)-2-thioxo-imidazol-1-yl]methyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[[3-(2,4-dimethylphenyl)-2-sulfanylidene-1-imidazolyl]methyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[[3-(2,4-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[[3-(2,4-dimethylphenyl)-2-thioxo-4-imidazolin-1-yl]methyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C22H28N6O3S2 MolecularWeight: 488.62612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CN(C2=S)CN3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CN(C2=S)CN3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C)C

InChI

InChI=1S/C22H28N6O3S2/c1-16-4-5-19(17(2)12-16)28-11-8-26(22(28)32)15-25-6-9-27(10-7-25)33(30,31)18-13-20(21(23)29)24(3)14-18/h4-5,8,11-14H,6-7,9-10,15H2,1-3H3,(H2,23,29)