methyl 1-[2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(5-chloro-1-propyl-benzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(5-chloro-1-propyl-2-benzimidazolyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(5-chloro-1-propyl-benzimidazol-2-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C19H24ClN3O3S MolecularWeight: 409.93016

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C19H24ClN3O3S/c1-3-8-23-16-5-4-14(20)11-15(16)21-19(23)27-12-17(24)22-9-6-13(7-10-22)18(25)26-2/h4-5,11,13H,3,6-10,12H2,1-2H3