6-[4-(1,3-dimethoxypropan-2-yl)piperazin-1-yl]benzo[b][1,4]benzothiazepine

Systemtic Name: 6-[4-(1,3-dimethoxypropan-2-yl)piperazin-1-yl]benzo[b][1,4]benzothiazepine Openeye Name: 6-[4-[2-methoxy-1-(methoxymethyl)ethyl]piperazin-1-yl]benzo[b][1,4]benzothiazepine CAS Name: 6-[4-(1,3-dimethoxypropan-2-yl)-1-piperazinyl]benzo[b][1,4]benzothiazepine IUPAC Name: 6-[4-(1,3-dimethoxypropan-2-yl)piperazin-1-yl]benzo[b][1,4]benzothiazepine Traditional Name: 6-[4-[2-methoxy-1-(methoxymethyl)ethyl]piperazino]benzo[b][1,4]benzothiazepine Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

COCC(COC)N1CCN(CC1)C2=NC3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

COCC(COC)N1CCN(CC1)C2=NC3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C22H27N3O2S/c1-26-15-17(16-27-2)24-11-13-25(14-12-24)22-18-7-3-5-9-20(18)28-21-10-6-4-8-19(21)23-22/h3-10,17H,11-16H2,1-2H3