Compound Identification
SMILES
CCCOC1=CC(=O)C(=CNNC(=S)NCC2CCCO2)C=C1
InChIKey
InChIKey=OMGCHXILXDINQA-UHFFFAOYSA-N
Formula
C16H23N3O3S
Mass
337.44
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
-
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
Vinylogous esters Vinylogous amides Thiosemicarbazides Oxolanes Oxacyclic compounds Dialkyl ethers Organosulfur compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
O-quinomethane - Oxolane - Thiosemicarbazide - Vinylogous amide - Vinylogous ester - Organoheterocyclic compound - Ether - Dialkyl ether - Oxacycle - Aldehyde - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aliphatic 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