Compound Identification
SMILES
CC12CC(CC(C)(C)C1)N(CN1C(=O)\C(=N\NC(=O)CSC3=NC4=CC=CC=C4O3)C3=C1C=CC(Br)=C3)C2
InChIKey
InChIKey=KDBOCECLKIZFHX-FEZSWGLMSA-N
Formula
C28H30BrN5O3S
Mass
596.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazoles
Alternative Parents
Indoles and derivatives Alkylarylthioethers Azepanes N-alkylpyrrolidines Benzenoids Aryl bromides Oxazoles Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Amino acids and derivatives Tertiary amines Oxacyclic compounds Azacyclic compounds Sulfenyl compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazole - Indole or derivatives - Aryl thioether - Alkylarylthioether - Azepane - Aryl bromide - Benzenoid - N-alkylpyrrolidine - Aryl halide - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Pyrrolidine - Oxazole - Lactam - Carboxamide group - Amino acid or derivatives - Tertiary amine - Thioether - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Oxacycle - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively.
External Descriptors
Not available