3-[[1-[1-(3,4-dihydro-2H-thiochromen-6-yl)-1-oxidanyl-propan-2-yl]piperidin-4-yl]methyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[[1-[1-(3,4-dihydro-2H-thiochromen-6-yl)-1-oxidanyl-propan-2-yl]piperidin-4-yl]methyl]-1H-benzimidazol-2-one Openeye Name: 3-[[1-(2-hydroxy-1-methyl-2-thiochroman-6-yl-ethyl)-4-piperidyl]methyl]-1H-benzimidazol-2-one CAS Name: 3-[[1-[1-(3,4-dihydro-2H-1-benzothiopyran-6-yl)-1-hydroxypropan-2-yl]-4-piperidinyl]methyl]-1H-benzimidazol-2-one IUPAC Name: 3-[[1-[1-(3,4-dihydro-2H-thiochromen-6-yl)-1-hydroxypropan-2-yl]piperidin-4-yl]methyl]-1H-benzimidazol-2-one Traditional Name: 3-[[1-(2-hydroxy-1-methyl-2-thiochroman-6-yl-ethyl)-4-piperidyl]methyl]-1H-benzimidazol-2-one Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC2=C(C=C1)SCCC2)O)N3CCC(CC3)CN4C5=CC=CC=C5NC4=O

Isomeric SMILES

CC(C(C1=CC2=C(C=C1)SCCC2)O)N3CCC(CC3)CN4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C25H31N3O2S/c1-17(24(29)20-8-9-23-19(15-20)5-4-14-31-23)27-12-10-18(11-13-27)16-28-22-7-3-2-6-21(22)26-25(28)30/h2-3,6-9,15,17-18,24,29H,4-5,10-14,16H2,1H3,(H,26,30)