Compound Identification
SMILES
COC1=C(Br)C=C(C=C1)[C@@H]1NC2=CC=CC=C2C2=C(O1)N=C(SC)N=N2
InChIKey
InChIKey=JEVCBZYMKARGES-MRXNPFEDSA-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 1,3-oxazepines Bromobenzenes Alkyl aryl ethers Alkylarylthioethers 1,2,4-triazines Aryl bromides Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Amines Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Anisole - Phenol ether - Methoxybenzene - Aryl thioether - Phenoxy compound - Meta-oxazepine - Bromobenzene - Halobenzene - Alkyl aryl ether - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,2,4-triazine - Triazine - Benzenoid - Heteroaromatic compound - Ether - Azacycle - Oxacycle - Thioether - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - 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