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

Systemtic Name: 6-ethyl-8-methyl-N-(3-morpholin-4-ylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-ethyl-8-methyl-N-(3-morpholinopropyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-ethyl-8-methyl-N-[3-(4-morpholinyl)propyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-ethyl-8-methyl-N-(3-morpholin-4-ylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-ethyl-8-methyl-N-(3-morpholinopropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCCCN3CCOCC3)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCCCN3CCOCC3)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C24H29N3O2S/c1-3-20-19-15-17(2)5-7-22(19)30-23-8-6-18(16-21(23)26-20)24(28)25-9-4-10-27-11-13-29-14-12-27/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,25,28)