Compound Identification
SMILES
C[C@H]1CN2C(=S)NC3=C2C(CN1CC=C(C)C)=CC(Cl)=C3.CC1=C(SC2=CC=CC=C2)N(COCCO)C(=O)NC1=O
InChIKey
InChIKey=CDMWIOGRAWZTCA-MERQFXBCSA-N
Formula
C30H36ClN5O4S2
Mass
630.22
Taxonomic Classification
Taxonomy Tree
-
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
Diarylthioethers Benzimidazoles Thiophenol ethers Aralkylamines Pyrimidones 1,4-diazepines Aryl chlorides Benzene and substituted derivatives Vinylogous thioesters Hydropyrimidines Imidazolethiones N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Lactams Trialkylamines Ureas Thioureas Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Primary alcohols
Molecular Framework
Not available
Substituents
Diarylthioether - 1,4-benzodiazepine - Benzimidazole - Aryl thioether - Thiophenol ether - Para-diazepine - Pyrimidone - Aralkylamine - Vinylogous thioester - Hydropyrimidine - Imidazole-2-thione - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Aryl halide - Pyrimidine - Aryl chloride - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Urea - Thiourea - Tertiary amine - Tertiary aliphatic amine - Lactam - Thioether - Azacycle - Sulfenyl compound - Primary alcohol - Organohalogen compound - Amine - Organochloride - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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