9-chloranyl-6-(2,4-dichlorophenyl)-N-pyrrolidin-1-yl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 9-chloranyl-6-(2,4-dichlorophenyl)-N-pyrrolidin-1-yl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 9-chloro-6-(2,4-dichlorophenyl)-N-pyrrolidin-1-yl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 9-chloro-6-(2,4-dichlorophenyl)-N-(1-pyrrolidinyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 9-chloro-6-(2,4-dichlorophenyl)-N-pyrrolidin-1-ylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 9-chloro-6-(2,4-dichlorophenyl)-N-pyrrolidino-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H18Cl3N3OS MolecularWeight: 502.84322

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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=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H18Cl3N3OS/c25-15-4-6-17(19(27)12-15)23-18-7-5-16(26)13-22(18)32-21-8-3-14(11-20(21)28-23)24(31)29-30-9-1-2-10-30/h3-8,11-13H,1-2,9-10H2,(H,29,31)