Compound Identification
SMILES
CCSC1=NC2=C(N=N1)C1=CC=CC=C1N([C@H](O2)C1=CC(OC)=C(OC)C=C1Cl)C(C)=O
InChIKey
InChIKey=WDMKGPKVXREXQT-OAQYLSRUSA-N
Formula
C22H21ClN4O4S
Mass
472.94
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
Dimethoxybenzenes Anisoles Phenoxy compounds 1,3-oxazepines Alkyl aryl ethers Chlorobenzenes Alkylarylthioethers Aryl chlorides 1,2,4-triazines Acetamides Heteroaromatic compounds Tertiary carboxylic acid amides Oxacyclic compounds Sulfenyl compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Dimethoxybenzene - O-dimethoxybenzene - Phenol ether - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Meta-oxazepine - Halobenzene - Alkylarylthioether - Chlorobenzene - Alkyl aryl ether - Benzenoid - 1,2,4-triazine - Triazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Acetamide - Tertiary carboxylic acid amide - Carboxamide group - Thioether - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Sulfenyl compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen 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