Compound Identification
SMILES
BrC1=CC=C(C=C1)C1=CC=C(O1)C(=O)NC(=S)NC1=NC2=C(S1)C=C(C=C2)N1CCOCC1
InChIKey
InChIKey=VDRFJUQCHVTBAN-UHFFFAOYSA-N
Formula
C23H19BrN4O3S2
Mass
543.45
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
Furoic acid and derivatives Dialkylarylamines Bromobenzenes Morpholines Aryl bromides Thiazoles Heteroaromatic compounds Thioureas Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Furoic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Heteroaromatic compound - Azole - Thiazole - Furan - Tertiary amine - Amino acid or derivatives - Thiourea - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organobromide - Organic oxide - Amine - Organohalogen compound - 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