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

Systemtic Name: 6-oxidanylidene-N-(3-pyrrolidin-1-ylpropyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-oxo-N-(3-pyrrolidin-1-ylpropyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-oxo-N-[3-(1-pyrrolidinyl)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: 6-oxo-N-(3-pyrrolidin-1-ylpropyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-N-(3-pyrrolidinopropyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CCN(C1)CCCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C21H23N3O2S/c25-20(22-10-5-13-24-11-3-4-12-24)15-8-9-19-17(14-15)23-21(26)16-6-1-2-7-18(16)27-19/h1-2,6-9,14H,3-5,10-13H2,(H,22,25)(H,23,26)