1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-(diphenethylamino)propan-2-ol

Systemtic Name: 1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-(diphenethylamino)propan-2-ol Openeye Name: 1-(diphenethylamino)-3-thiochroman-8-yloxy-propan-2-ol CAS Name: 1-(3,4-dihydro-2H-1-benzothiopyran-8-yloxy)-3-(diphenethylamino)-2-propanol IUPAC Name: 1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-(diphenethylamino)propan-2-ol Traditional Name: 1-(diphenethylamino)-3-thiochroman-8-yloxy-propan-2-ol Formula: C28H33NO2S MolecularWeight: 447.63212

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=CC=C2)OCC(CN(CCC3=CC=CC=C3)CCC4=CC=CC=C4)O)SC1

Isomeric SMILES

C1CC2=C(C(=CC=C2)OCC(CN(CCC3=CC=CC=C3)CCC4=CC=CC=C4)O)SC1

InChI

InChI=1S/C28H33NO2S/c30-26(22-31-27-15-7-13-25-14-8-20-32-28(25)27)21-29(18-16-23-9-3-1-4-10-23)19-17-24-11-5-2-6-12-24/h1-7,9-13,15,26,30H,8,14,16-22H2