8-bromanyl-6-ethyl-N-(3-propan-2-yloxypropyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 8-bromanyl-6-ethyl-N-(3-propan-2-yloxypropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-bromo-6-ethyl-N-(3-isopropoxypropyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-bromo-6-ethyl-N-(3-propan-2-yloxypropyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-bromo-6-ethyl-N-(3-propan-2-yloxypropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-bromo-6-ethyl-N-(3-isopropoxypropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H25BrN2O2S MolecularWeight: 461.4151

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O2S/c1-4-18-17-13-16(23)7-9-20(17)28-21-8-6-15(12-19(21)25-18)22(26)24-10-5-11-27-14(2)3/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,24,26)