Compound Identification
SMILES
CCSC1=NC2=C(N=N1)C1=CC=CC=C1N(C(O2)C1=CC(Cl)=CC(Br)=C1OC(=O)CC)C(=O)CC
InChIKey
InChIKey=ZOCNAYLROFEORX-UHFFFAOYSA-N
Formula
C24H22BrClN4O4S
Mass
577.88
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
Phenol esters Phenoxy compounds 1,3-oxazepines Alkylarylthioethers Chlorobenzenes Bromobenzenes 1,2,4-triazines Aryl bromides Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Phenol ester - Phenoxy compound - Aryl thioether - Meta-oxazepine - Halobenzene - Chlorobenzene - Bromobenzene - Alkylarylthioether - Aryl bromide - Aryl chloride - 1,2,4-triazine - Monocyclic benzene moiety - Benzenoid - Triazine - Aryl halide - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Oxacycle - Azacycle - Sulfenyl compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Thioether - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organobromide - Organochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen 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