Compound Identification
SMILES
CCCCCCSC1=NC2=C(N=N1)C1=CC=CC=C1N([C@@H](O2)C1=CC=C(CC)C=C1)C(C)=O
InChIKey
InChIKey=WQIAFRHSQUVTHU-VWLOTQADSA-N
Formula
C26H30N4O2S
Mass
462.61
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
Alkylarylthioethers 1,3-oxazepines Benzene and substituted derivatives 1,2,4-triazines Tertiary carboxylic acid amides Heteroaromatic compounds Acetamides Tertiary amines Amino acids and derivatives Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Aryl thioether - Meta-oxazepine - Alkylarylthioether - Monocyclic benzene moiety - 1,2,4-triazine - Benzenoid - Triazine - Heteroaromatic compound - Acetamide - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Oxacycle - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Thioether - Organonitrogen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - 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