1-[tert-butyl-(phenylmethyl)amino]-3-(3,4-dihydro-2H-thiochromen-8-yloxy)propan-2-ol

Systemtic Name: 1-[tert-butyl-(phenylmethyl)amino]-3-(3,4-dihydro-2H-thiochromen-8-yloxy)propan-2-ol Openeye Name: 1-[benzyl(tert-butyl)amino]-3-thiochroman-8-yloxy-propan-2-ol CAS Name: 1-[tert-butyl-(phenylmethyl)amino]-3-(3,4-dihydro-2H-1-benzothiopyran-8-yloxy)-2-propanol IUPAC Name: 1-[benzyl(tert-butyl)amino]-3-(3,4-dihydro-2H-thiochromen-8-yloxy)propan-2-ol Traditional Name: 1-[benzyl(tert-butyl)amino]-3-thiochroman-8-yloxy-propan-2-ol Formula: C23H31NO2S MolecularWeight: 385.56274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)CC(COC2=CC=CC3=C2SCCC3)O

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)CC(COC2=CC=CC3=C2SCCC3)O

InChI

InChI=1S/C23H31NO2S/c1-23(2,3)24(15-18-9-5-4-6-10-18)16-20(25)17-26-21-13-7-11-19-12-8-14-27-22(19)21/h4-7,9-11,13,20,25H,8,12,14-17H2,1-3H3