Compound Identification
SMILES
COC1=C(OC)C(OC)=C2C(CCC(NC(=O)N(C)N=O)C3=CC(=O)C(SC)=CC=C23)=C1
InChIKey
InChIKey=XMGDWNKNFDSIKQ-UHFFFAOYSA-N
Formula
C22H25N3O6S
Mass
459.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Hydrocarbon derivatives
- Class Tropones
-
Superclass
Hydrocarbon derivatives
Kingdom
Organic compounds
Superclass
Hydrocarbon derivatives
Class
Tropones
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tropones
Alternative Parents
Anisoles N-methylnitrosoureas Alkylarylthioethers Alkyl aryl ethers Semicarbazides Nitrosamides Cyclic ketones Sulfenyl compounds Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Anisole - Aryl thioether - Phenol ether - Tropone - Alkyl aryl ether - N-methylnitrosourea - Alkylarylthioether - Nitrosourea - Benzenoid - Semicarbazide - Nitrosamide - Organic n-nitroso compound - Cyclic ketone - Organic nitroso compound - Thioether - Ether - Sulfenyl compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as tropones. These are compounds containing a tropone ring, which is a cycloheptatrienone ring bearing a ketone group.
External Descriptors
Not available