Compound Identification
SMILES
CC1=CC(C)=C(NC2=C(C(NC3=NC4=C(C)C=CC=C4S3)=NC=N2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=YWHSEQDPFDVYTA-UHFFFAOYSA-N
Formula
C20H18N6O2S
Mass
406.46
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
m-Xylenes Nitroaromatic compounds Aniline and substituted anilines Aminopyrimidines and derivatives Imidolactams 2-amino-1,3-thiazoles Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Nitroaromatic compound - M-xylene - Xylene - Aniline or substituted anilines - Aminopyrimidine - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Imidolactam - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Thiazole - C-nitro compound - Organic nitro compound - Azacycle - Organic oxoazanium - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic salt - Organic oxygen compound - Organic zwitterion - Organic oxide - 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