Compound Identification
SMILES
CSC1=NC2=C(N=N1)C1=CC=CC=C1NC(O2)C1=CC2=C(OCO2)C=C1Br
InChIKey
InChIKey=QVXUXSWUBBEVPK-UHFFFAOYSA-N
Formula
C18H13BrN4O3S
Mass
445.29
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
Benzodioxoles Secondary alkylarylamines Alkylarylthioethers 1,3-oxazepines Benzenoids Aryl bromides 1,2,4-triazines Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Benzodioxole - Aryl thioether - Meta-oxazepine - Secondary aliphatic/aromatic amine - Alkylarylthioether - Aryl bromide - Aryl halide - 1,2,4-triazine - Benzenoid - Triazine - Heteroaromatic compound - Acetal - Oxacycle - Azacycle - Thioether - Sulfenyl compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen 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