Compound Identification
SMILES
Cl.NC1=C(CSC2=CC=CC=C2)C(=C\C(N1)=C1/C(=O)C=CC=C1OCC1CC1)C1CCCNC1
InChIKey
InChIKey=YRTHJCOJAPKILQ-NYIQPMNJSA-N
Formula
C27H32ClN3O2S
Mass
498.08
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
-
Level 7
Quinomethanes
- Level 8 O-quinomethanes
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Level 7
Quinomethanes
-
Level 6
Cyclic ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Cyclic ketones - Quinomethanes
Direct Parent
O-quinomethanes
Alternative Parents
Thiophenol ethers Dihydropyridines Alkylarylthioethers Piperidines Benzene and substituted derivatives Vinylogous amides Ketene acetals Sulfenyl compounds Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl thioether - O-quinomethane - Thiophenol ether - Dihydropyridine - Alkylarylthioether - Monocyclic benzene moiety - Hydropyridine - Piperidine - Benzenoid - Vinylogous amide - Ketene acetal or derivatives - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Thioether - Sulfenyl compound - Hydrochloride - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.
External Descriptors
Not available