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

Systemtic Name: ethyl 1-ethyl-3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-2-sulfanylidene-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[[4-(4-pyridylmethyl)piperazin-1-yl]methyl]-2-thioxo-benzimidazole-5-carboxylate CAS Name: 1-ethyl-3-[[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]-2-sulfanylidene-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-2-sulfanylidenebenzimidazole-5-carboxylate Traditional Name: 1-ethyl-3-[[4-(4-pyridylmethyl)piperazino]methyl]-2-thioxo-benzimidazole-5-carboxylic acid ethyl ester Formula: C23H29N5O2S MolecularWeight: 439.57366

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N(C1=S)CN3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N(C1=S)CN3CCN(CC3)CC4=CC=NC=C4

InChI

InChI=1S/C23H29N5O2S/c1-3-27-20-6-5-19(22(29)30-4-2)15-21(20)28(23(27)31)17-26-13-11-25(12-14-26)16-18-7-9-24-10-8-18/h5-10,15H,3-4,11-14,16-17H2,1-2H3