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

Systemtic Name: 1-(2-adamantylamino)-3-(3,4-dihydro-2H-thiochromen-8-yloxy)propan-2-ol Openeye Name: 1-(2-adamantylamino)-3-thiochroman-8-yloxy-propan-2-ol CAS Name: 1-(2-adamantylamino)-3-(3,4-dihydro-2H-1-benzothiopyran-8-yloxy)-2-propanol IUPAC Name: 1-(2-adamantylamino)-3-(3,4-dihydro-2H-thiochromen-8-yloxy)propan-2-ol Traditional Name: 1-(2-adamantylamino)-3-thiochroman-8-yloxy-propan-2-ol Formula: C22H31NO2S MolecularWeight: 373.55204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=CC=C2)OCC(CNC3C4CC5CC(C4)CC3C5)O)SC1

Isomeric SMILES

C1CC2=C(C(=CC=C2)OCC(CNC3C4CC5CC(C4)CC3C5)O)SC1

InChI

InChI=1S/C22H31NO2S/c24-19(13-25-20-5-1-3-16-4-2-6-26-22(16)20)12-23-21-17-8-14-7-15(10-17)11-18(21)9-14/h1,3,5,14-15,17-19,21,23-24H,2,4,6-13H2