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

Systemtic Name: 6-ethyl-8-methyl-N-(3-propan-2-yloxypropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-ethyl-N-(3-isopropoxypropyl)-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-ethyl-8-methyl-N-(3-propan-2-yloxypropyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-ethyl-8-methyl-N-(3-propan-2-yloxypropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-ethyl-N-(3-isopropoxypropyl)-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H28N2O2S MolecularWeight: 396.54562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCCCOC(C)C)SC3=C1C=C(C=C3)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCCCOC(C)C)SC3=C1C=C(C=C3)C

InChI

InChI=1S/C23H28N2O2S/c1-5-19-18-13-16(4)7-9-21(18)28-22-10-8-17(14-20(22)25-19)23(26)24-11-6-12-27-15(2)3/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,24,26)