N'-(phenylcarbonyl)-6-piperidin-1-yl-benzo[b][1,4]benzothiazepine-3-carbohydrazide

Systemtic Name: N'-(phenylcarbonyl)-6-piperidin-1-yl-benzo[b][1,4]benzothiazepine-3-carbohydrazide Openeye Name: N'-benzoyl-6-(1-piperidyl)benzo[b][1,4]benzothiazepine-3-carbohydrazide CAS Name: N'-benzoyl-6-(1-piperidinyl)-3-benzo[b][1,4]benzothiazepinecarbohydrazide IUPAC Name: N'-benzoyl-6-piperidin-1-ylbenzo[b][1,4]benzothiazepine-3-carbohydrazide Traditional Name: N'-benzoyl-6-piperidino-benzo[b][1,4]benzothiazepine-3-carbohydrazide Formula: C26H24N4O2S MolecularWeight: 456.55936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=C(C=CC(=C3)C(=O)NNC(=O)C4=CC=CC=C4)SC5=CC=CC=C52

Isomeric SMILES

C1CCN(CC1)C2=NC3=C(C=CC(=C3)C(=O)NNC(=O)C4=CC=CC=C4)SC5=CC=CC=C52

InChI

InChI=1S/C26H24N4O2S/c31-25(18-9-3-1-4-10-18)28-29-26(32)19-13-14-23-21(17-19)27-24(30-15-7-2-8-16-30)20-11-5-6-12-22(20)33-23/h1,3-6,9-14,17H,2,7-8,15-16H2,(H,28,31)(H,29,32)