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

Systemtic Name: N'-(phenylmethyl)-6-piperidin-1-yl-benzo[b][1,4]benzothiazepine-3-carbohydrazide Openeye Name: N'-benzyl-6-(1-piperidyl)benzo[b][1,4]benzothiazepine-3-carbohydrazide CAS Name: N'-(phenylmethyl)-6-(1-piperidinyl)-3-benzo[b][1,4]benzothiazepinecarbohydrazide IUPAC Name: N'-benzyl-6-piperidin-1-ylbenzo[b][1,4]benzothiazepine-3-carbohydrazide Traditional Name: N'-benzyl-6-piperidino-benzo[b][1,4]benzothiazepine-3-carbohydrazide Formula: C26H26N4OS MolecularWeight: 442.57584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=C(C=CC(=C3)C(=O)NNCC4=CC=CC=C4)SC5=CC=CC=C52

Isomeric SMILES

C1CCN(CC1)C2=NC3=C(C=CC(=C3)C(=O)NNCC4=CC=CC=C4)SC5=CC=CC=C52

InChI

InChI=1S/C26H26N4OS/c31-26(29-27-18-19-9-3-1-4-10-19)20-13-14-24-22(17-20)28-25(30-15-7-2-8-16-30)21-11-5-6-12-23(21)32-24/h1,3-6,9-14,17,27H,2,7-8,15-16,18H2,(H,29,31)