6,8-dimethyl-N-(3-morpholin-4-ylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6,8-dimethyl-N-(3-morpholin-4-ylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6,8-dimethyl-N-(3-morpholinopropyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6,8-dimethyl-N-[3-(4-morpholinyl)propyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6,8-dimethyl-N-(3-morpholin-4-ylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6,8-dimethyl-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:

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)NCCCN4CCOCC4)N=C2C

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)NCCCN4CCOCC4)N=C2C

InChI

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