Compound Identification
SMILES
CCC(CC)C1=NN=C(NC(=O)C2=CC3=C(C=C2)C(=O)C2=CC=CC=C2S3(=O)=O)S1
InChIKey
InChIKey=DLWJNBVKBOPIJI-UHFFFAOYSA-N
Formula
C21H19N3O4S2
Mass
441.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiopyrans
-
Subclass
1-benzothiopyrans
-
Level 5
Thioxanthenes
- Level 6 Thioxanthones
-
Level 5
Thioxanthenes
-
Subclass
1-benzothiopyrans
-
Class
Benzothiopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiopyrans
Subclass
1-benzothiopyrans
Intermediate Tree Nodes
Thioxanthenes
Direct Parent
Thioxanthones
Alternative Parents
Aryl ketones Benzenoids Thiadiazoles Sulfones Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thioxanthone - Aryl ketone - Benzenoid - Azole - Sulfone - Thiadiazole - Heteroaromatic compound - Carboxamide group - Ketone - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thioxanthones. These are compounds containing a thioxanthene moiety which bears an ketone group.
External Descriptors
Not available