Compound Identification
SMILES
OCCN(CCO)CCO.CC1=C(C2=C(C=C1)N=C(S2)C1=CC=C(N)C=C1)S(O)(=O)=O
InChIKey
InChIKey=QDDVIQOJFQOVJW-UHFFFAOYSA-N
Formula
C20H27N3O6S2
Mass
469.57
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazoles
Alternative Parents
Arylsulfonic acids and derivatives Aniline and substituted anilines Thiazoles Sulfonyls Organosulfonic acids Heteroaromatic compounds Trialkylamines 1,2-aminoalcohols Azacyclic compounds Primary amines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Arylsulfonic acid or derivatives - 1,3-benzothiazole - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Thiazole - Sulfonyl - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Azacycle - Alkanolamine - Organopnictogen compound - Primary amine - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Amine - Alcohol - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
External Descriptors
Not available