Compound Identification
SMILES
CCCSC1=NC2=C(OC(NC3=CC=CC=C23)C2=CC3=C(OCO3)C=C2)N=N1
InChIKey
InChIKey=PVMLSWUIUZAJCX-UHFFFAOYSA-N
Formula
C20H18N4O3S
Mass
394.45
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 1,2,4-triazines Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Benzodioxole - Aryl thioether - Meta-oxazepine - Secondary aliphatic/aromatic amine - Alkylarylthioether - Triazine - Benzenoid - 1,2,4-triazine - Heteroaromatic compound - Acetal - Thioether - Oxacycle - Sulfenyl compound - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen 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