methyl 4-[[6-chloranyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-benzimidazol-2-yl]sulfanyl]piperidine-1-carboxylate

Systemtic Name: methyl 4-[[6-chloranyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-benzimidazol-2-yl]sulfanyl]piperidine-1-carboxylate Openeye Name: methyl 4-[[6-chloro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-benzimidazol-2-yl]sulfanyl]piperidine-1-carboxylate CAS Name: 4-[[6-chloro-5-[4-(2-hydroxyethyl)-1-piperazinyl]-1H-benzimidazol-2-yl]thio]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[6-chloro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-benzimidazol-2-yl]sulfanyl]piperidine-1-carboxylate Traditional Name: 4-[[6-chloro-5-[4-(2-hydroxyethyl)piperazino]-1H-benzimidazol-2-yl]thio]piperidine-1-carboxylic acid methyl ester Formula: C20H28ClN5O3S MolecularWeight: 453.98602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC(CC1)SC2=NC3=CC(=C(C=C3N2)Cl)N4CCN(CC4)CCO

Isomeric SMILES

COC(=O)N1CCC(CC1)SC2=NC3=CC(=C(C=C3N2)Cl)N4CCN(CC4)CCO

InChI

InChI=1S/C20H28ClN5O3S/c1-29-20(28)26-4-2-14(3-5-26)30-19-22-16-12-15(21)18(13-17(16)23-19)25-8-6-24(7-9-25)10-11-27/h12-14,27H,2-11H2,1H3,(H,22,23)