Compound Identification
SMILES
COC1=CC=CC(=C1)[C@H]1NC2=C(C=C(Br)C=C2)C2=C(O1)N=C(SC)N=N2
InChIKey
InChIKey=RBRXUCKPSVEJLZ-INIZCTEOSA-N
Formula
C18H15BrN4O2S
Mass
431.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazepines
Alternative Parents
Phenoxy compounds Methoxybenzenes Anisoles Alkylarylthioethers Alkyl aryl ethers 1,3-oxazepines Aryl bromides 1,2,4-triazines Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organobromides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Anisole - Phenol ether - Methoxybenzene - Aryl thioether - Phenoxy compound - Meta-oxazepine - Alkylarylthioether - Alkyl aryl ether - Aryl bromide - 1,2,4-triazine - Benzenoid - Aryl halide - Triazine - Monocyclic benzene moiety - Heteroaromatic compound - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Ether - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazepines. These are organic compounds containing a benzene fused to an oxazepine ring (a seven-membered ring with four carbon atoms, one oxygen atom, and a nitrogen atom).
External Descriptors
Not available