Compound Identification
SMILES
COC1=CC=C(C=C1)C1OC2=C(N=NC(SC)=N2)C2=C(C=CC(Cl)=C2)N1C(C)=O
InChIKey
InChIKey=KGXMPNXBXSGPLX-UHFFFAOYSA-N
Formula
C20H17ClN4O3S
Mass
428.89
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 Anisoles Methoxybenzenes 1,3-oxazepines Alkyl aryl ethers Alkylarylthioethers 1,2,4-triazines Aryl chlorides Tertiary carboxylic acid amides Acetamides Heteroaromatic compounds Azacyclic compounds Oxacyclic compounds Sulfenyl compounds Organic oxides Organochlorides Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Meta-oxazepine - Alkyl aryl ether - Alkylarylthioether - Aryl chloride - Triazine - Benzenoid - Monocyclic benzene moiety - 1,2,4-triazine - Aryl halide - Acetamide - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Thioether - Oxacycle - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Ether - Organosulfur compound - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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