Compound Identification
SMILES
COC1=CC(OC)=C2N=C(NC(=S)NC(=O)C3=CC=C(O3)C3=CC=C(Br)C=C3)SC2=C1
InChIKey
InChIKey=SEPFEJLBESULTL-UHFFFAOYSA-N
Formula
C21H16BrN3O4S2
Mass
518.4
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
Anisoles Furoic acid and derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Thiazoles Heteroaromatic compounds Thioureas Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Furoic acid or derivatives - Anisole - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Furan - Thiourea - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Organopnictogen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - 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