3-chloranyl-N-(4-pyridin-4-ylbutyl)-6H-benzo[b][1,4]benzothiazepine-5-carboxamide

Systemtic Name: 3-chloranyl-N-(4-pyridin-4-ylbutyl)-6H-benzo[b][1,4]benzothiazepine-5-carboxamide Openeye Name: 3-chloro-N-[4-(4-pyridyl)butyl]-6H-benzo[b][1,4]benzothiazepine-5-carboxamide CAS Name: 3-chloro-N-(4-pyridin-4-ylbutyl)-6H-benzo[b][1,4]benzothiazepine-5-carboxamide IUPAC Name: 3-chloro-N-(4-pyridin-4-ylbutyl)-6H-benzo[b][1,4]benzothiazepine-5-carboxamide Traditional Name: 3-chloro-N-[4-(4-pyridyl)butyl]-6H-benzo[b][1,4]benzothiazepine-5-carboxamide Formula: C23H22ClN3OS MolecularWeight: 423.95828

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2SC3=C(N1C(=O)NCCCCC4=CC=NC=C4)C=C(C=C3)Cl

Isomeric SMILES

C1C2=CC=CC=C2SC3=C(N1C(=O)NCCCCC4=CC=NC=C4)C=C(C=C3)Cl

InChI

InChI=1S/C23H22ClN3OS/c24-19-8-9-22-20(15-19)27(16-18-6-1-2-7-21(18)29-22)23(28)26-12-4-3-5-17-10-13-25-14-11-17/h1-2,6-11,13-15H,3-5,12,16H2,(H,26,28)