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

Systemtic Name: 5-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-cycloheptyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(2-chloro-4-fluoro-phenyl)methyl]-N-cycloheptyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(2-chloro-4-fluorophenyl)methyl]-N-cycloheptyl-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(2-chloro-4-fluorophenyl)methyl]-N-cycloheptyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(2-chloro-4-fluoro-benzyl)-N-cycloheptyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C28H26ClFN2O2S MolecularWeight: 509.034643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=C(C=C(C=C5)F)Cl

Isomeric SMILES

C1CCCC(CC1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=C(C=C(C=C5)F)Cl

InChI

InChI=1S/C28H26ClFN2O2S/c29-23-16-20(30)13-11-19(23)17-32-24-15-18(27(33)31-21-7-3-1-2-4-8-21)12-14-26(24)35-25-10-6-5-9-22(25)28(32)34/h5-6,9-16,21H,1-4,7-8,17H2,(H,31,33)