2-methylpropyl 4-benzo[b][1,4]benzothiazepin-6-ylpiperazine-1-carboxylate

Systemtic Name: 2-methylpropyl 4-benzo[b][1,4]benzothiazepin-6-ylpiperazine-1-carboxylate Openeye Name: isobutyl 4-benzo[b][1,4]benzothiazepin-6-ylpiperazine-1-carboxylate CAS Name: 4-(6-benzo[b][1,4]benzothiazepinyl)-1-piperazinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-benzo[b][1,4]benzothiazepin-6-ylpiperazine-1-carboxylate Traditional Name: 4-benzo[b][1,4]benzothiazepin-6-ylpiperazine-1-carboxylic acid isobutyl ester Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CC(C)COC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C22H25N3O2S/c1-16(2)15-27-22(26)25-13-11-24(12-14-25)21-17-7-3-5-9-19(17)28-20-10-6-4-8-18(20)23-21/h3-10,16H,11-15H2,1-2H3