1-[4-[3-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanyl-2-oxidanyl-propoxy]-3-methoxy-phenyl]ethanone

Systemtic Name: 1-[4-[3-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanyl-2-oxidanyl-propoxy]-3-methoxy-phenyl]ethanone Openeye Name: 1-[4-[3-(5-chloro-1-propyl-benzimidazol-2-yl)sulfanyl-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[3-[(5-chloro-1-propyl-2-benzimidazolyl)thio]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[3-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-2-hydroxypropoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[3-[(5-chloro-1-propyl-benzimidazol-2-yl)thio]-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone Formula: C22H25ClN2O4S MolecularWeight: 448.9629

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(COC3=C(C=C(C=C3)C(=O)C)OC)O

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(COC3=C(C=C(C=C3)C(=O)C)OC)O

InChI

InChI=1S/C22H25ClN2O4S/c1-4-9-25-19-7-6-16(23)11-18(19)24-22(25)30-13-17(27)12-29-20-8-5-15(14(2)26)10-21(20)28-3/h5-8,10-11,17,27H,4,9,12-13H2,1-3H3