8-bromanyl-6-ethyl-N-(3-methoxypropyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 8-bromanyl-6-ethyl-N-(3-methoxypropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-bromo-6-ethyl-N-(3-methoxypropyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-bromo-6-ethyl-N-(3-methoxypropyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-bromo-6-ethyl-N-(3-methoxypropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-bromo-6-ethyl-N-(3-methoxypropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C20H21BrN2O2S MolecularWeight: 433.36194

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCCCOC)SC3=C1C=C(C=C3)Br

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCCCOC)SC3=C1C=C(C=C3)Br

InChI

InChI=1S/C20H21BrN2O2S/c1-3-16-15-12-14(21)6-8-18(15)26-19-7-5-13(11-17(19)23-16)20(24)22-9-4-10-25-2/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,24)