8-chloranyl-N-(2-morpholin-4-ylethyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 8-chloranyl-N-(2-morpholin-4-ylethyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-chloro-N-(2-morpholinoethyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-chloro-N-[2-(4-morpholinyl)ethyl]-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-chloro-N-(2-morpholin-4-ylethyl)-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-chloro-N-(2-morpholinoethyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H26ClN3O2S MolecularWeight: 443.98944

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCN3CCOCC3)SC4=C1C=C(C=C4)Cl

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCN3CCOCC3)SC4=C1C=C(C=C4)Cl

InChI

InChI=1S/C23H26ClN3O2S/c1-2-3-19-18-15-17(24)5-7-21(18)30-22-6-4-16(14-20(22)26-19)23(28)25-8-9-27-10-12-29-13-11-27/h4-7,14-15H,2-3,8-13H2,1H3,(H,25,28)