Compound Identification
SMILES
CCSC1=NC2=C(N=N1)C1=CC=CC=C1NC(O2)C1=CC(OC)=C(OC)C=C1OC
InChIKey
InChIKey=IAVCKVGDSHUADN-UHFFFAOYSA-N
Formula
C21H22N4O4S
Mass
426.49
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
Phenoxy compounds Methoxybenzenes Anisoles Alkylarylthioethers Alkyl aryl ethers 1,3-oxazepines 1,2,4-triazines Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Meta-oxazepine - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Triazine - Benzenoid - 1,2,4-triazine - Heteroaromatic compound - Thioether - Oxacycle - Ether - Sulfenyl compound - Azacycle - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - 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