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

Systemtic Name: ethyl 4-[[6-chloranyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-benzimidazol-2-yl]sulfanyl]piperidine-1-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H30ClN5O3S MolecularWeight: 468.0126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30ClN5O3S/c1-2-30-21(29)27-5-3-15(4-6-27)31-20-23-17-13-16(22)19(14-18(17)24-20)26-9-7-25(8-10-26)11-12-28/h13-15,28H,2-12H2,1H3,(H,23,24)