1-[4-[2-oxidanyl-3-[2-(phenylmethylsulfanyl)-3a,7a-dihydrobenzimidazol-1-yl]propoxy]phenyl]propan-1-one

Systemtic Name: 1-[4-[2-oxidanyl-3-[2-(phenylmethylsulfanyl)-3a,7a-dihydrobenzimidazol-1-yl]propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[3-(2-benzylsulfanyl-3a,7a-dihydrobenzimidazol-1-yl)-2-hydroxy-propoxy]phenyl]propan-1-one CAS Name: 1-[4-[2-hydroxy-3-[2-(phenylmethylthio)-3a,7a-dihydrobenzimidazol-1-yl]propoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[3-(2-benzylsulfanyl-3a,7a-dihydrobenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one Traditional Name: 1-[4-[3-[2-(benzylthio)-3a,7a-dihydrobenzimidazol-1-yl]-2-hydroxy-propoxy]phenyl]propan-1-one Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(CN2C3C=CC=CC3N=C2SCC4=CC=CC=C4)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(CN2C3C=CC=CC3N=C2SCC4=CC=CC=C4)O

InChI

InChI=1S/C26H28N2O3S/c1-2-25(30)20-12-14-22(15-13-20)31-17-21(29)16-28-24-11-7-6-10-23(24)27-26(28)32-18-19-8-4-3-5-9-19/h3-15,21,23-24,29H,2,16-18H2,1H3