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

Systemtic Name: 1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-(3-phenylpropylamino)propan-2-ol Openeye Name: 1-(3-phenylpropylamino)-3-thiochroman-8-yloxy-propan-2-ol CAS Name: 1-(3,4-dihydro-2H-1-benzothiopyran-8-yloxy)-3-(3-phenylpropylamino)-2-propanol IUPAC Name: 1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-(3-phenylpropylamino)propan-2-ol Traditional Name: 1-(3-phenylpropylamino)-3-thiochroman-8-yloxy-propan-2-ol Formula: C21H27NO2S MolecularWeight: 357.50958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=CC=C2)OCC(CNCCCC3=CC=CC=C3)O)SC1

Isomeric SMILES

C1CC2=C(C(=CC=C2)OCC(CNCCCC3=CC=CC=C3)O)SC1

InChI

InChI=1S/C21H27NO2S/c23-19(15-22-13-5-9-17-7-2-1-3-8-17)16-24-20-12-4-10-18-11-6-14-25-21(18)20/h1-4,7-8,10,12,19,22-23H,5-6,9,11,13-16H2