3-(3,4-dihydro-2H-thiochromen-4-yloxy)-4,4-diphenyl-3-piperazin-1-yl-butan-2-ol

Systemtic Name: 3-(3,4-dihydro-2H-thiochromen-4-yloxy)-4,4-diphenyl-3-piperazin-1-yl-butan-2-ol Openeye Name: 4,4-diphenyl-3-piperazin-1-yl-3-thiochroman-4-yloxy-butan-2-ol CAS Name: 3-(3,4-dihydro-2H-1-benzothiopyran-4-yloxy)-4,4-diphenyl-3-(1-piperazinyl)-2-butanol IUPAC Name: 3-(3,4-dihydro-2H-thiochromen-4-yloxy)-4,4-diphenyl-3-piperazin-1-ylbutan-2-ol Traditional Name: 4,4-diphenyl-3-piperazino-3-thiochroman-4-yloxy-butan-2-ol Formula: C29H34N2O2S MolecularWeight: 474.65746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C1=CC=CC=C1)C2=CC=CC=C2)(N3CCNCC3)OC4CCSC5=CC=CC=C45)O

Isomeric SMILES

CC(C(C(C1=CC=CC=C1)C2=CC=CC=C2)(N3CCNCC3)OC4CCSC5=CC=CC=C45)O

InChI

InChI=1S/C29H34N2O2S/c1-22(32)29(31-19-17-30-18-20-31,33-26-16-21-34-27-15-9-8-14-25(26)27)28(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,22,26,28,30,32H,16-21H2,1H3