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

Systemtic Name: 6-ethyl-N-(3-morpholin-4-ylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-ethyl-N-(3-morpholinopropyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-ethyl-N-[3-(4-morpholinyl)propyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-ethyl-N-(3-morpholin-4-ylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-ethyl-N-(3-morpholinopropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCCCN3CCOCC3)SC4=CC=CC=C41

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCCCN3CCOCC3)SC4=CC=CC=C41

InChI

InChI=1S/C23H27N3O2S/c1-2-19-18-6-3-4-7-21(18)29-22-9-8-17(16-20(22)25-19)23(27)24-10-5-11-26-12-14-28-15-13-26/h3-4,6-9,16H,2,5,10-15H2,1H3,(H,24,27)