N-(2-ethoxyethyl)-6-piperidin-1-yl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(2-ethoxyethyl)-6-piperidin-1-yl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(2-ethoxyethyl)-6-(1-piperidyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(2-ethoxyethyl)-6-(1-piperidinyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(2-ethoxyethyl)-6-piperidin-1-ylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(2-ethoxyethyl)-6-piperidino-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=N2)N4CCCCC4

Isomeric SMILES

CCOCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=N2)N4CCCCC4

InChI

InChI=1S/C23H27N3O2S/c1-2-28-15-12-24-23(27)17-10-11-21-19(16-17)25-22(26-13-6-3-7-14-26)18-8-4-5-9-20(18)29-21/h4-5,8-11,16H,2-3,6-7,12-15H2,1H3,(H,24,27)