Compound Identification
SMILES
CC1=C(SC=C1)C(=O)CN1C2=CC=CC=C2C(=NC(NC(=O)NC2=CC=CC(C)=C2)C1=O)C1=CC=CC=C1
InChIKey
InChIKey=XAHDPRSSHMTXGU-UHFFFAOYSA-N
Formula
C30H26N4O3S
Mass
522.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
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Class
Benzodiazepines
-
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
N-phenylureas Alpha amino acids and derivatives Aryl alkyl ketones Toluenes Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Ureas Lactams Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - N-phenylurea - Aryl ketone - Aryl alkyl ketone - Toluene - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Thiophene - Heteroaromatic compound - Carboxamide group - Ketimine - Ketone - Lactam - Urea - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Imine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen 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