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

Systemtic Name: 6-ethyl-8-methyl-N-(2-morpholin-4-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-ethyl-8-methyl-N-(2-morpholinoethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-ethyl-8-methyl-N-[2-(4-morpholinyl)ethyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-ethyl-8-methyl-N-(2-morpholin-4-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-ethyl-8-methyl-N-(2-morpholinoethyl)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)NCCN3CCOCC3)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCCN3CCOCC3)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C23H27N3O2S/c1-3-19-18-14-16(2)4-6-21(18)29-22-7-5-17(15-20(22)25-19)23(27)24-8-9-26-10-12-28-13-11-26/h4-7,14-15H,3,8-13H2,1-2H3,(H,24,27)