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

Systemtic Name: 5-methyl-N-(3-morpholin-4-ylpropyl)-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-methyl-N-(3-morpholinopropyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-methyl-N-[3-(4-morpholinyl)propyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-methyl-N-(3-morpholin-4-ylpropyl)-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-5-methyl-N-(3-morpholinopropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H25N3O3S MolecularWeight: 411.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(=O)NCCCN3CCOCC3)SC4=CC=CC=C4C1=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)NCCCN3CCOCC3)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C22H25N3O3S/c1-24-18-15-16(21(26)23-9-4-10-25-11-13-28-14-12-25)7-8-20(18)29-19-6-3-2-5-17(19)22(24)27/h2-3,5-8,15H,4,9-14H2,1H3,(H,23,26)