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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(S1)C=CC(=C2)C(C(C)N3CCC(CC3)N4C5=CC=CC=C5NC4=O)O

Isomeric SMILES

CC1CCC2=C(S1)C=CC(=C2)C(C(C)N3CCC(CC3)N4C5=CC=CC=C5NC4=O)O

InChI

InChI=1S/C25H31N3O2S/c1-16-7-8-18-15-19(9-10-23(18)31-16)24(29)17(2)27-13-11-20(12-14-27)28-22-6-4-3-5-21(22)26-25(28)30/h3-6,9-10,15-17,20,24,29H,7-8,11-14H2,1-2H3,(H,26,30)