Compound Identification
SMILES
OC1=CC=CC(C=C2SC(=S)N(CCCN3CCOCC3)C2=O)=C1O
InChIKey
InChIKey=YIFYXILBDUTHAX-UHFFFAOYSA-N
Formula
C17H20N2O4S2
Mass
380.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Benzenediols
- Level 5 Catechols
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Subclass
Benzenediols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Benzenediols
Intermediate Tree Nodes
Not available
Direct Parent
Catechols
Alternative Parents
1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Thiazolidinethiones Morpholines Benzene and substituted derivatives Cyclic dithiocarbamic acid esters Trialkylamines Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organosulfur compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Morpholine - Oxazinane - Thiazolidinethione - Cyclic dithiocarbamic acid ester - Dithiocarbamic acid ester - Thiazolidine - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol moiety.
External Descriptors
Not available