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

Systemtic Name: 8-bromanyl-N-(3-ethoxypropyl)-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-bromo-N-(3-ethoxypropyl)-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-bromo-N-(3-ethoxypropyl)-6-ethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-bromo-N-(3-ethoxypropyl)-6-ethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-bromo-N-(3-ethoxypropyl)-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H23BrN2O2S MolecularWeight: 447.38852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O2S/c1-3-17-16-13-15(22)7-9-19(16)27-20-8-6-14(12-18(20)24-17)21(25)23-10-5-11-26-4-2/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,25)