Compound Identification
SMILES
COC1=C(O)C=C(C=C1)[C@@H]1NC2=C(C=C(Br)C=C2)C2=C(O1)N=C(SC)N=N2
InChIKey
InChIKey=XQCRPNDTKVSZMJ-MRXNPFEDSA-N
Formula
C18H15BrN4O3S
Mass
447.31
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
Methoxyphenols Anisoles Phenoxy compounds Methoxybenzenes 1,3-oxazepines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Alkylarylthioethers Aryl bromides 1,2,4-triazines Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Amines Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Methoxyphenol - Anisole - Phenoxy compound - Aryl thioether - Phenol ether - Methoxybenzene - Meta-oxazepine - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkylarylthioether - Benzenoid - Triazine - 1,2,4-triazine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Sulfenyl compound - Thioether - Oxacycle - Azacycle - Ether - Organic oxygen compound - Organic nitrogen compound - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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