Compound Identification
SMILES
COC1=C(C=C(Cl)C=C1)C1=CC2=C(NC(=O)C3CN(CCN3C2=O)C(=O)CSC)C=C1
InChIKey
InChIKey=MKQYLHYLVVHKRW-UHFFFAOYSA-N
Formula
C22H22ClN3O4S
Mass
459.95
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
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Class
Benzodiazepines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
1,4-benzodiazepines
Intermediate Tree Nodes
Not available
Direct Parent
1,4-benzodiazepines
Alternative Parents
Alpha amino acids and derivatives Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Chlorobenzenes Aryl chlorides Piperazines Tertiary carboxylic acid amides Vinylogous amides Lactams Secondary carboxylic acid amides Dialkylthioethers Azacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - 1,4-diazinane - Aryl halide - Piperazine - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Vinylogous amide - Carboxamide group - Lactam - Secondary carboxylic acid amide - Azacycle - Dialkylthioether - Sulfenyl compound - Carboxylic acid derivative - Thioether - Ether - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
External Descriptors
Not available