6-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]benzo[b][1,4]benzothiazepine

Systemtic Name: 6-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]benzo[b][1,4]benzothiazepine Openeye Name: 6-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]benzo[b][1,4]benzothiazepine CAS Name: 6-[4-(1,4-dioxan-2-ylmethyl)-1-piperazinyl]benzo[b][1,4]benzothiazepine IUPAC Name: 6-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]benzo[b][1,4]benzothiazepine Traditional Name: 6-[4-(1,4-dioxan-2-ylmethyl)piperazino]benzo[b][1,4]benzothiazepine Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2COCCO2)C3=NC4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1CN(CCN1CC2COCCO2)C3=NC4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C22H25N3O2S/c1-3-7-20-18(5-1)22(23-19-6-2-4-8-21(19)28-20)25-11-9-24(10-12-25)15-17-16-26-13-14-27-17/h1-8,17H,9-16H2