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

Systemtic Name: 1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-(4-phenylbutylamino)propan-2-ol Openeye Name: 1-(4-phenylbutylamino)-3-thiochroman-8-yloxy-propan-2-ol CAS Name: 1-(3,4-dihydro-2H-1-benzothiopyran-8-yloxy)-3-(4-phenylbutylamino)-2-propanol IUPAC Name: 1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-(4-phenylbutylamino)propan-2-ol Traditional Name: 1-(4-phenylbutylamino)-3-thiochroman-8-yloxy-propan-2-ol Formula: C22H29NO2S MolecularWeight: 371.53616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=CC=C2)OCC(CNCCCCC3=CC=CC=C3)O)SC1

Isomeric SMILES

C1CC2=C(C(=CC=C2)OCC(CNCCCCC3=CC=CC=C3)O)SC1

InChI

InChI=1S/C22H29NO2S/c24-20(16-23-14-5-4-10-18-8-2-1-3-9-18)17-25-21-13-6-11-19-12-7-15-26-22(19)21/h1-3,6,8-9,11,13,20,23-24H,4-5,7,10,12,14-17H2