N-(2-oxidanylideneazepan-3-yl)-6-piperidin-1-yl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(2-oxidanylideneazepan-3-yl)-6-piperidin-1-yl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(2-oxoazepan-3-yl)-6-(1-piperidyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(2-oxo-3-azepanyl)-6-(1-piperidinyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(2-oxoazepan-3-yl)-6-piperidin-1-ylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(2-ketoazepan-3-yl)-6-piperidino-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H28N4O2S MolecularWeight: 448.58042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=C(C=CC(=C3)C(=O)NC4CCCCNC4=O)SC5=CC=CC=C52

Isomeric SMILES

C1CCN(CC1)C2=NC3=C(C=CC(=C3)C(=O)NC4CCCCNC4=O)SC5=CC=CC=C52

InChI

InChI=1S/C25H28N4O2S/c30-24(28-19-9-4-5-13-26-25(19)31)17-11-12-22-20(16-17)27-23(29-14-6-1-7-15-29)18-8-2-3-10-21(18)32-22/h2-3,8,10-12,16,19H,1,4-7,9,13-15H2,(H,26,31)(H,28,30)