6-oxidanylidene-N-(3-piperidin-1-ylpropyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-oxidanylidene-N-(3-piperidin-1-ylpropyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-oxo-N-[3-(1-piperidyl)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-oxo-N-[3-(1-piperidinyl)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: 6-oxo-N-(3-piperidin-1-ylpropyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-N-(3-piperidinopropyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H25N3O2S/c26-21(23-11-6-14-25-12-4-1-5-13-25)16-9-10-20-18(15-16)24-22(27)17-7-2-3-8-19(17)28-20/h2-3,7-10,15H,1,4-6,11-14H2,(H,23,26)(H,24,27)