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

Systemtic Name: 5-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-cyclohexyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(2-chloro-4-fluoro-phenyl)methyl]-N-cyclohexyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(2-chloro-4-fluorophenyl)methyl]-N-cyclohexyl-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(2-chloro-4-fluorophenyl)methyl]-N-cyclohexyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(2-chloro-4-fluoro-benzyl)-N-cyclohexyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H24ClFN2O2S MolecularWeight: 495.008063

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=C(C=C(C=C5)F)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=C(C=C(C=C5)F)Cl

InChI

InChI=1S/C27H24ClFN2O2S/c28-22-15-19(29)12-10-18(22)16-31-23-14-17(26(32)30-20-6-2-1-3-7-20)11-13-25(23)34-24-9-5-4-8-21(24)27(31)33/h4-5,8-15,20H,1-3,6-7,16H2,(H,30,32)