Compound Identification
SMILES
CCC1=C\C(=C2\NNC=C2C2=NC(C)=CS2)C(=O)C=C1OC(C)C(=O)NCCO
InChIKey
InChIKey=FJBDVLZPPOMTGS-JXAWBTAJSA-N
Formula
C20H24N4O4S
Mass
416.5
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
N-acylethanolamines 2,4-disubstituted thiazoles Vinylogous esters Vinylogous amides Pyrazolines Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Hydrazines and derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acylethanolamine - O-quinomethane - 2,4-disubstituted 1,3-thiazole - Azole - Heteroaromatic compound - Pyrazoline - Vinylogous ester - Vinylogous amide - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Alkanolamine - Organoheterocyclic compound - Primary alcohol - Organonitrogen compound - Hydrocarbon derivative - Hydrazine derivative - Organic nitrogen compound - Organic oxide - Alcohol - 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