6-(3-bromophenyl)-9-chloranyl-N-pyrrolidin-1-yl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-(3-bromophenyl)-9-chloranyl-N-pyrrolidin-1-yl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-(3-bromophenyl)-9-chloro-N-pyrrolidin-1-yl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-(3-bromophenyl)-9-chloro-N-(1-pyrrolidinyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-(3-bromophenyl)-9-chloro-N-pyrrolidin-1-ylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-(3-bromophenyl)-9-chloro-N-pyrrolidino-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H19BrClN3OS MolecularWeight: 512.84916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)NC(=O)C2=CC3=C(C=C2)SC4=C(C=CC(=C4)Cl)C(=N3)C5=CC(=CC=C5)Br

Isomeric SMILES

C1CCN(C1)NC(=O)C2=CC3=C(C=C2)SC4=C(C=CC(=C4)Cl)C(=N3)C5=CC(=CC=C5)Br

InChI

InChI=1S/C24H19BrClN3OS/c25-17-5-3-4-15(12-17)23-19-8-7-18(26)14-22(19)31-21-9-6-16(13-20(21)27-23)24(30)28-29-10-1-2-11-29/h3-9,12-14H,1-2,10-11H2,(H,28,30)