Compound Identification
SMILES
COC(=O)C1=NN(C(=O)C2=C(NC(=S)NC(=O)C3=CC=CC=C3)SC(C)=C12)C1=CC=C(C)C=C1
InChIKey
InChIKey=CRPKUWJAZOUUTG-UHFFFAOYSA-N
Formula
C24H20N4O4S2
Mass
492.57
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids and derivatives
Alternative Parents
Thieno[3,4-d]pyridazines Benzoyl derivatives Toluenes Pyridazinones Vinylogous amides Thiophenes Methyl esters Heteroaromatic compounds Thioureas Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoic acid or derivatives - Thienopyridazine - Thieno[3,4-d]pyridazine - Benzoyl - Pyridazinone - Toluene - Pyridazine - Heteroaromatic compound - Vinylogous amide - Methyl ester - Thiophene - Carboxylic acid ester - Lactam - Thiourea - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors
Not available