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

Systemtic Name: methyl 3-[[6-chloranyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-benzimidazol-2-yl]sulfanyl]pyrrolidine-1-carboxylate Openeye Name: methyl 3-[[6-chloro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-benzimidazol-2-yl]sulfanyl]pyrrolidine-1-carboxylate CAS Name: 3-[[6-chloro-5-[4-(2-hydroxyethyl)-1-piperazinyl]-1H-benzimidazol-2-yl]thio]-1-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 3-[[6-chloro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-benzimidazol-2-yl]sulfanyl]pyrrolidine-1-carboxylate Traditional Name: 3-[[6-chloro-5-[4-(2-hydroxyethyl)piperazino]-1H-benzimidazol-2-yl]thio]pyrrolidine-1-carboxylic acid methyl ester Formula: C19H26ClN5O3S MolecularWeight: 439.95944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC(C1)SC2=NC3=CC(=C(C=C3N2)Cl)N4CCN(CC4)CCO

Isomeric SMILES

COC(=O)N1CCC(C1)SC2=NC3=CC(=C(C=C3N2)Cl)N4CCN(CC4)CCO

InChI

InChI=1S/C19H26ClN5O3S/c1-28-19(27)25-3-2-13(12-25)29-18-21-15-10-14(20)17(11-16(15)22-18)24-6-4-23(5-7-24)8-9-26/h10-11,13,26H,2-9,12H2,1H3,(H,21,22)