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

Systemtic Name: ethyl 3-[[4-(4-cyanopyridin-2-yl)piperazin-1-yl]methyl]-1-ethyl-2-sulfanylidene-benzimidazole-5-carboxylate Openeye Name: ethyl 3-[[4-(4-cyano-2-pyridyl)piperazin-1-yl]methyl]-1-ethyl-2-thioxo-benzimidazole-5-carboxylate CAS Name: 3-[[4-(4-cyano-2-pyridinyl)-1-piperazinyl]methyl]-1-ethyl-2-sulfanylidene-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-cyanopyridin-2-yl)piperazin-1-yl]methyl]-1-ethyl-2-sulfanylidenebenzimidazole-5-carboxylate Traditional Name: 3-[[4-(4-cyano-2-pyridyl)piperazino]methyl]-1-ethyl-2-thioxo-benzimidazole-5-carboxylic acid ethyl ester Formula: C23H26N6O2S MolecularWeight: 450.55654

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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=NC=CC(=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6O2S/c1-3-28-19-6-5-18(22(30)31-4-2)14-20(19)29(23(28)32)16-26-9-11-27(12-10-26)21-13-17(15-24)7-8-25-21/h5-8,13-14H,3-4,9-12,16H2,1-2H3