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

Systemtic Name: 1-[3-methoxy-4-[3-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanyl-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[2-hydroxy-3-(1-isopentylbenzimidazol-2-yl)sulfanyl-propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[2-hydroxy-3-[[1-(3-methylbutyl)-2-benzimidazolyl]thio]propoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[2-hydroxy-3-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylpropoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[2-hydroxy-3-[(1-isoamylbenzimidazol-2-yl)thio]propoxy]-3-methoxy-phenyl]ethanone Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2N=C1SCC(COC3=C(C=C(C=C3)C(=O)C)OC)O

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2N=C1SCC(COC3=C(C=C(C=C3)C(=O)C)OC)O

InChI

InChI=1S/C24H30N2O4S/c1-16(2)11-12-26-21-8-6-5-7-20(21)25-24(26)31-15-19(28)14-30-22-10-9-18(17(3)27)13-23(22)29-4/h5-10,13,16,19,28H,11-12,14-15H2,1-4H3