Compound Identification
SMILES
CSC1=NC2=C(N=N1)C1=CC=CC=C1N([C@H](O2)C1=CC=C(Br)O1)C(C)=O
InChIKey
InChIKey=AXVZRKIJKUFNFN-MRXNPFEDSA-N
Formula
C17H13BrN4O3S
Mass
433.28
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 1,2,4-triazines Aryl bromides Benzenoids Tertiary carboxylic acid amides Acetamides Furans Heteroaromatic compounds Azacyclic compounds Sulfenyl compounds Oxacyclic compounds Carbonyl compounds Organobromides Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Aryl thioether - Meta-oxazepine - Alkylarylthioether - Aryl bromide - Aryl halide - 1,2,4-triazine - Benzenoid - Triazine - Heteroaromatic compound - Furan - Acetamide - Tertiary carboxylic acid amide - Carboxamide group - Oxacycle - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Thioether - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - 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