Compound Identification
SMILES
CCCSC1=NC2=C(N=N1)C1=CC=CC=C1N(C(O2)C1=C(F)C=CC=C1Cl)C(=O)CC
InChIKey
InChIKey=OVOKJRXRIKYOEV-UHFFFAOYSA-N
Formula
C22H20ClFN4O2S
Mass
458.94
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazepines
Alternative Parents
1,3-oxazepines Alkylarylthioethers Chlorobenzenes Fluorobenzenes 1,2,4-triazines Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Oxacyclic compounds Sulfenyl compounds Organic oxides Organochlorides Carbonyl compounds Organofluorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Aryl thioether - Meta-oxazepine - Alkylarylthioether - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,2,4-triazine - Benzenoid - Triazine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Thioether - Organooxygen compound - Organosulfur compound - Organohalogen compound - Organochloride - Organic nitrogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazepines. These are organic compounds containing a benzene fused to an oxazepine ring (a seven-membered ring with four carbon atoms, one oxygen atom, and a nitrogen atom).
External Descriptors
Not available