prop-2-enyl 4-[[6-chloranyl-5-[4-(2-hydroxyethyl)piperidin-1-yl]-1H-benzimidazol-2-yl]sulfanyl]piperidine-1-carboxylate

Systemtic Name: prop-2-enyl 4-[[6-chloranyl-5-[4-(2-hydroxyethyl)piperidin-1-yl]-1H-benzimidazol-2-yl]sulfanyl]piperidine-1-carboxylate Openeye Name: allyl 4-[[6-chloro-5-[4-(2-hydroxyethyl)-1-piperidyl]-1H-benzimidazol-2-yl]sulfanyl]piperidine-1-carboxylate CAS Name: 4-[[6-chloro-5-[4-(2-hydroxyethyl)-1-piperidinyl]-1H-benzimidazol-2-yl]thio]-1-piperidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-[[6-chloro-5-[4-(2-hydroxyethyl)piperidin-1-yl]-1H-benzimidazol-2-yl]sulfanyl]piperidine-1-carboxylate Traditional Name: 4-[[6-chloro-5-[4-(2-hydroxyethyl)piperidino]-1H-benzimidazol-2-yl]thio]piperidine-1-carboxylic acid allyl ester Formula: C23H31ClN4O3S MolecularWeight: 479.03524

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CCC(CC1)SC2=NC3=CC(=C(C=C3N2)Cl)N4CCC(CC4)CCO

Isomeric SMILES

C=CCOC(=O)N1CCC(CC1)SC2=NC3=CC(=C(C=C3N2)Cl)N4CCC(CC4)CCO

InChI

InChI=1S/C23H31ClN4O3S/c1-2-13-31-23(30)28-10-5-17(6-11-28)32-22-25-19-14-18(24)21(15-20(19)26-22)27-8-3-16(4-9-27)7-12-29/h2,14-17,29H,1,3-13H2,(H,25,26)