Compound Identification
SMILES
[O-]C(=O)\C=C/C([O-])=O.[O-]C(=O)\C=C/C([O-])=O.CNC(=O)CCN1CCN(CC\C=C2\C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1
InChIKey
InChIKey=PDAUESICMCKTDM-FXKYGGESSA-J
Formula
C32H32ClN3O9S
Mass
670.13
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiopyrans
-
Subclass
1-benzothiopyrans
- 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
Not available
Direct Parent
Thioxanthenes
Alternative Parents
Beta amino acids and derivatives Diarylthioethers N-alkylpiperazines Unsaturated fatty acids Aryl chlorides Benzenoids Dicarboxylic acids and derivatives Trialkylamines Secondary carboxylic acid amides Carboxylic acid salts Azacyclic compounds Carboxylic acids Organochlorides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Not available
Substituents
Thioxanthene - Beta amino acid or derivatives - Diarylthioether - Aryl thioether - N-alkylpiperazine - Aryl chloride - Aryl halide - 1,4-diazinane - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Benzenoid - Piperazine - Unsaturated fatty acid - Amino acid or derivatives - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Carboxylic acid - Carboxylic acid derivative - Thioether - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thioxanthenes. These are organic polycyclic compounds containing a thioxanthene moiety, which is an aromatic tricycle derived from xanthene by replacing the oxygen atom with a sulfur atom.
External Descriptors
Not available