Compound Identification
SMILES
CCC(=O)N1C(OC2=C(N=NC(SC)=N2)C2=CC=CC=C12)C1=CC(C)=C(OC)C=C1
InChIKey
InChIKey=WRHSLNWEGPMRHM-UHFFFAOYSA-N
Formula
C22H22N4O3S
Mass
422.5
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 Toluenes 1,3-oxazepines Alkyl aryl ethers Alkylarylthioethers 1,2,4-triazines Tertiary carboxylic acid amides Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Meta-oxazepine - Alkyl aryl ether - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Triazine - Benzenoid - 1,2,4-triazine - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Sulfenyl compound - Thioether - Organic oxide - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen 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