ethyl 4-[2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(5-chloro-1-propyl-benzimidazol-2-yl)sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(5-chloro-1-propyl-2-benzimidazolyl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(5-chloro-1-propyl-benzimidazol-2-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H25ClN4O3S MolecularWeight: 424.9448

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C19H25ClN4O3S/c1-3-7-24-16-6-5-14(20)12-15(16)21-18(24)28-13-17(25)22-8-10-23(11-9-22)19(26)27-4-2/h5-6,12H,3-4,7-11,13H2,1-2H3