4-[4-[[5-(4-methoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[[5-(4-methoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[[5-(4-methoxyphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[[5-(4-methoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[[5-(4-methoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[[5-(4-methoxyphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C20H24N6O5S2 MolecularWeight: 492.57176

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)CN3C(=S)OC(=N3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)CN3C(=S)OC(=N3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C20H24N6O5S2/c1-23-12-16(11-17(23)18(21)27)33(28,29)25-9-7-24(8-10-25)13-26-20(32)31-19(22-26)14-3-5-15(30-2)6-4-14/h3-6,11-12H,7-10,13H2,1-2H3,(H2,21,27)