methyl 3-[[6-chloranyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-benzimidazol-2-yl]sulfanyl]piperidine-1-carboxylate

Systemtic Name: methyl 3-[[6-chloranyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-benzimidazol-2-yl]sulfanyl]piperidine-1-carboxylate Openeye Name: methyl 3-[[6-chloro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-benzimidazol-2-yl]sulfanyl]piperidine-1-carboxylate CAS Name: 3-[[6-chloro-5-[4-(2-hydroxyethyl)-1-piperazinyl]-1H-benzimidazol-2-yl]thio]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 3-[[6-chloro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-benzimidazol-2-yl]sulfanyl]piperidine-1-carboxylate Traditional Name: 3-[[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)N1CCCC(C1)SC2=NC3=CC(=C(C=C3N2)Cl)N4CCN(CC4)CCO

Isomeric SMILES

COC(=O)N1CCCC(C1)SC2=NC3=CC(=C(C=C3N2)Cl)N4CCN(CC4)CCO

InChI

InChI=1S/C20H28ClN5O3S/c1-29-20(28)26-4-2-3-14(13-26)30-19-22-16-11-15(21)18(12-17(16)23-19)25-7-5-24(6-8-25)9-10-27/h11-12,14,27H,2-10,13H2,1H3,(H,22,23)