Compound Identification
SMILES
CCOC(=O)C1CCN(CC1)C(=O)[C@@H](C)SC1=NN=C([C@@H]2COC3=CC=CC=C3O2)N1C
InChIKey
InChIKey=XMQVFFACHOOFHD-KDOFPFPSSA-N
Formula
C22H28N4O5S
Mass
460.55
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Benzodioxanes
- Subclass Benzo-1,4-dioxanes
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Class
Benzodioxanes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxanes
Subclass
Benzo-1,4-dioxanes
Intermediate Tree Nodes
Not available
Direct Parent
Benzo-1,4-dioxanes
Alternative Parents
N-acylpiperidines Piperidinecarboxylic acids Alkyl aryl ethers Alkylarylthioethers Benzenoids Para dioxins Heteroaromatic compounds Triazoles Tertiary carboxylic acid amides Tertiary amines Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-1,4-dioxane - N-acyl-piperidine - Piperidinecarboxylic acid - Aryl thioether - Alkyl aryl ether - Alkylarylthioether - Benzenoid - Piperidine - Para-dioxin - Heteroaromatic compound - Azole - 1,2,4-triazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Tertiary amine - Oxacycle - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Thioether - Ether - Monocarboxylic acid or derivatives - Amine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring.
External Descriptors
Not available