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

Systemtic Name: 9-chloranyl-6-(2,4-dichlorophenyl)-N-piperidin-1-yl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 9-chloro-6-(2,4-dichlorophenyl)-N-(1-piperidyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 9-chloro-6-(2,4-dichlorophenyl)-N-(1-piperidinyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 9-chloro-6-(2,4-dichlorophenyl)-N-piperidin-1-ylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 9-chloro-6-(2,4-dichlorophenyl)-N-piperidino-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H20Cl3N3OS MolecularWeight: 516.8698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)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(CC1)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/C25H20Cl3N3OS/c26-16-5-7-18(20(28)13-16)24-19-8-6-17(27)14-23(19)33-22-9-4-15(12-21(22)29-24)25(32)30-31-10-2-1-3-11-31/h4-9,12-14H,1-3,10-11H2,(H,30,32)