3-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)-2-methoxy-propan-1-ol

Systemtic Name: 3-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)-2-methoxy-propan-1-ol Openeye Name: 3-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)-2-methoxy-propan-1-ol CAS Name: 3-[4-(6-benzo[b][1,4]benzothiazepinyl)-1-piperazinyl]-2-methoxy-1-propanol IUPAC Name: 3-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)-2-methoxypropan-1-ol Traditional Name: 3-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazino)-2-methoxy-propan-1-ol Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

COC(CN1CCN(CC1)C2=NC3=CC=CC=C3SC4=CC=CC=C42)CO

Isomeric SMILES

COC(CN1CCN(CC1)C2=NC3=CC=CC=C3SC4=CC=CC=C42)CO

InChI

InChI=1S/C21H25N3O2S/c1-26-16(15-25)14-23-10-12-24(13-11-23)21-17-6-2-4-8-19(17)27-20-9-5-3-7-18(20)22-21/h2-9,16,25H,10-15H2,1H3