Compound Identification
SMILES
COC(=O)C1=C(SC=C1)N1N=C(C2=CC=C(N)C=C2)C2=CC3=C(OCO3)C=C2C[C@H]1C
InChIKey
InChIKey=HILOWXKTDNFWGP-CYBMUJFWSA-N
Formula
C23H21N3O4S
Mass
435.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodiazepines
Alternative Parents
Benzodioxoles Aniline and substituted anilines Thiophene carboxylic acids and derivatives Primary aromatic amines Vinylogous amides Heteroaromatic compounds Methyl esters Amino acids and derivatives Acetals Hydrazones Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Benzodioxole - Thiophene carboxylic acid or derivatives - Aniline or substituted anilines - Monocyclic benzene moiety - Primary aromatic amine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Methyl ester - Thiophene - Amino acid or derivatives - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Hydrazone - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
External Descriptors
Not available