Compound Identification
SMILES
OC(=O)C1=CC=C(C=C1)C1NC2=CC=CC=C2C2=C(O1)N=C(SCC1=CC=CC=C1)N=N2
InChIKey
InChIKey=LNGZKPYRJXMELE-UHFFFAOYSA-N
Formula
C24H18N4O3S
Mass
442.49
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
Benzoic acids Benzoyl derivatives Alkylarylthioethers 1,3-oxazepines 1,2,4-triazines Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Benzoic acid or derivatives - Benzoic acid - Aryl thioether - Benzoyl - Meta-oxazepine - Alkylarylthioether - Monocyclic benzene moiety - 1,2,4-triazine - Benzenoid - Triazine - Heteroaromatic compound - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Thioether - Sulfenyl compound - Amine - Organic nitrogen compound - Organic oxygen compound - 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