ethyl 4-[2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-(5-chloro-1-propyl-benzimidazol-2-yl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[(5-chloro-1-propyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(5-chloro-1-propyl-benzimidazol-2-yl)thio]acetyl]amino]butyric acid ethyl ester Formula: C18H24ClN3O3S MolecularWeight: 397.91946

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NCCCC(=O)OCC

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NCCCC(=O)OCC

InChI

InChI=1S/C18H24ClN3O3S/c1-3-10-22-15-8-7-13(19)11-14(15)21-18(22)26-12-16(23)20-9-5-6-17(24)25-4-2/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,20,23)