Compound Identification
SMILES
CC1=CC=C(CN2C3=CC=CC=C3C3=C([C@H](C4=CC=C(Br)C=C4)C(C#N)=C(N)O3)S2(=O)=O)C=C1
InChIKey
InChIKey=QNMHGYTUHDHBAQ-HSZRJFAPSA-N
Formula
C26H20BrN3O3S
Mass
534.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazines
Alternative Parents
Toluenes Bromobenzenes Pyrans Organosulfonamides Organic sulfonamides Aryl bromides Ketene acetals Oxacyclic compounds Nitriles Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazine - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyran - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Ketene acetal or derivatives - Oxacycle - Azacycle - Carbonitrile - Nitrile - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Cyanide - Organooxygen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiazines. These are organic compounds containing a benzene fused to a thiazine ring (a six-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
External Descriptors
Not available