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

Systemtic Name: 6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]benzo[b][1,4]benzothiazepine Openeye Name: 6-[4-(tetrahydrofuran-2-ylmethyl)piperazin-1-yl]benzo[b][1,4]benzothiazepine CAS Name: 6-[4-(2-oxolanylmethyl)-1-piperazinyl]benzo[b][1,4]benzothiazepine IUPAC Name: 6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]benzo[b][1,4]benzothiazepine Traditional Name: 6-[4-(tetrahydrofurfuryl)piperazino]benzo[b][1,4]benzothiazepine Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2CCN(CC2)C3=NC4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1CC(OC1)CN2CCN(CC2)C3=NC4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C22H25N3OS/c1-3-9-20-18(7-1)22(23-19-8-2-4-10-21(19)27-20)25-13-11-24(12-14-25)16-17-6-5-15-26-17/h1-4,7-10,17H,5-6,11-16H2