Compound Identification
SMILES
CC1=NN(C2=C1C=C(S2)C(=O)OCCNC(=O)C1=CC2=C(C=C1)C(=O)C1=CC=CC=C1S2(=O)=O)C1=CC=CC=C1Cl
InChIKey
InChIKey=PWDQLJSZAHBLAA-UHFFFAOYSA-N
Formula
C29H20ClN3O6S2
Mass
606.06
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzothiopyrans
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Subclass
1-benzothiopyrans
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Level 5
Thioxanthenes
- Level 6 Thioxanthones
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Level 5
Thioxanthenes
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Subclass
1-benzothiopyrans
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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
Phenylpyrazoles Thiophene carboxylic acids and derivatives Aryl ketones 2,3,5-trisubstituted thiophenes Chlorobenzenes Aryl chlorides Sulfones Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thioxanthone - Phenylpyrazole - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Aryl ketone - Halobenzene - Chlorobenzene - Aryl halide - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Azole - Sulfone - Pyrazole - Ketone - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - 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