Compound Identification
SMILES
CSC1=CC=C(CN2CCOC3=C(C2)C=C(C=C3)C(O)C(C)C)C=C1
InChIKey
InChIKey=LXPKEACLWJZSJW-UHFFFAOYSA-N
Formula
C21H27NO2S
Mass
357.51
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
Thiophenol ethers Phenylmethylamines Benzylamines Aralkylamines Alkylarylthioethers Alkyl aryl ethers Trialkylamines Secondary alcohols Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Aryl thioether - Benzylamine - Phenylmethylamine - Thiophenol ether - Alkyl aryl ether - Aralkylamine - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Ether - Azacycle - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organosulfur compound - Amine - Aromatic alcohol - Organic oxygen 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