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

Systemtic Name: 5-ethyl-N-(3-morpholin-4-ylpropyl)-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-ethyl-N-(3-morpholinopropyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-ethyl-N-[3-(4-morpholinyl)propyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-ethyl-N-(3-morpholin-4-ylpropyl)-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-ethyl-6-keto-N-(3-morpholinopropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)NCCCN3CCOCC3)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)NCCCN3CCOCC3)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C23H27N3O3S/c1-2-26-19-16-17(22(27)24-10-5-11-25-12-14-29-15-13-25)8-9-21(19)30-20-7-4-3-6-18(20)23(26)28/h3-4,6-9,16H,2,5,10-15H2,1H3,(H,24,27)