5-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-cyclooctyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-cyclooctyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(2-chloro-4-fluoro-phenyl)methyl]-N-cyclooctyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(2-chloro-4-fluorophenyl)methyl]-N-cyclooctyl-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(2-chloro-4-fluorophenyl)methyl]-N-cyclooctyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(2-chloro-4-fluoro-benzyl)-N-cyclooctyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C29H28ClFN2O2S MolecularWeight: 523.061223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=C(C=C(C=C5)F)Cl

Isomeric SMILES

C1CCCC(CCC1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=C(C=C(C=C5)F)Cl

InChI

InChI=1S/C29H28ClFN2O2S/c30-24-17-21(31)14-12-20(24)18-33-25-16-19(28(34)32-22-8-4-2-1-3-5-9-22)13-15-27(25)36-26-11-7-6-10-23(26)29(33)35/h6-7,10-17,22H,1-5,8-9,18H2,(H,32,34)