N'-(2-phenylethanoyl)-6-piperidin-1-yl-benzo[b][1,4]benzothiazepine-3-carbohydrazide

Systemtic Name: N'-(2-phenylethanoyl)-6-piperidin-1-yl-benzo[b][1,4]benzothiazepine-3-carbohydrazide Openeye Name: N'-(2-phenylacetyl)-6-(1-piperidyl)benzo[b][1,4]benzothiazepine-3-carbohydrazide CAS Name: N'-(1-oxo-2-phenylethyl)-6-(1-piperidinyl)-3-benzo[b][1,4]benzothiazepinecarbohydrazide IUPAC Name: N'-(2-phenylacetyl)-6-piperidin-1-ylbenzo[b][1,4]benzothiazepine-3-carbohydrazide Traditional Name: N'-(2-phenylacetyl)-6-piperidino-benzo[b][1,4]benzothiazepine-3-carbohydrazide Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=C(C=CC(=C3)C(=O)NNC(=O)CC4=CC=CC=C4)SC5=CC=CC=C52

Isomeric SMILES

C1CCN(CC1)C2=NC3=C(C=CC(=C3)C(=O)NNC(=O)CC4=CC=CC=C4)SC5=CC=CC=C52

InChI

InChI=1S/C27H26N4O2S/c32-25(17-19-9-3-1-4-10-19)29-30-27(33)20-13-14-24-22(18-20)28-26(31-15-7-2-8-16-31)21-11-5-6-12-23(21)34-24/h1,3-6,9-14,18H,2,7-8,15-17H2,(H,29,32)(H,30,33)