ethyl 1-ethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-sulfanylidene-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-sulfanylidene-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[[4-(2-pyridyl)piperazin-1-yl]methyl]-2-thioxo-benzimidazole-5-carboxylate CAS Name: 1-ethyl-3-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-2-sulfanylidene-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-sulfanylidenebenzimidazole-5-carboxylate Traditional Name: 1-ethyl-3-[[4-(2-pyridyl)piperazino]methyl]-2-thioxo-benzimidazole-5-carboxylic acid ethyl ester Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N(C1=S)CN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N(C1=S)CN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H27N5O2S/c1-3-26-18-9-8-17(21(28)29-4-2)15-19(18)27(22(26)30)16-24-11-13-25(14-12-24)20-7-5-6-10-23-20/h5-10,15H,3-4,11-14,16H2,1-2H3