Compound Identification
SMILES
CCC(=O)N1[C@@H](OC2=C(N=NC(SC)=N2)C2=CC=CC=C12)C1=CC=CC=C1Cl
InChIKey
InChIKey=PWUUUTLIPYBAAY-IBGZPJMESA-N
Formula
C20H17ClN4O2S
Mass
412.89
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
Chlorobenzenes Alkylarylthioethers 1,3-oxazepines Aryl chlorides 1,2,4-triazines Tertiary carboxylic acid amides Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Aryl thioether - Meta-oxazepine - Chlorobenzene - Alkylarylthioether - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,2,4-triazine - Benzenoid - Triazine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Oxacycle - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - 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