8-bromanyl-6-methyl-N-(3-morpholin-4-ylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 8-bromanyl-6-methyl-N-(3-morpholin-4-ylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-bromo-6-methyl-N-(3-morpholinopropyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-bromo-6-methyl-N-[3-(4-morpholinyl)propyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-bromo-6-methyl-N-(3-morpholin-4-ylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-bromo-6-methyl-N-(3-morpholinopropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H24BrN3O2S MolecularWeight: 474.41386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(=O)NCCCN3CCOCC3)SC4=C1C=C(C=C4)Br

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(=O)NCCCN3CCOCC3)SC4=C1C=C(C=C4)Br

InChI

InChI=1S/C22H24BrN3O2S/c1-15-18-14-17(23)4-6-20(18)29-21-5-3-16(13-19(21)25-15)22(27)24-7-2-8-26-9-11-28-12-10-26/h3-6,13-14H,2,7-12H2,1H3,(H,24,27)