Compound Identification
SMILES
ClC1=C(C=CC=N1)C(=O)N1CCCN1C(=S)NCC1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=ZMUKWMQFJPOBLQ-UHFFFAOYSA-N
Formula
C18H17ClN4O3S
Mass
404.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Pyridinecarboxylic acids and derivatives 2-halopyridines Aryl chlorides Benzenoids Vinylogous halides Thiosemicarbazides Pyrazolidines Heteroaromatic compounds Carboxylic acid hydrazides Oxacyclic compounds Acetals Azacyclic compounds Organopnictogen compounds Organosulfur compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Pyridine carboxylic acid or derivatives - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Pyrazolidine - Heteroaromatic compound - Thiosemicarbazide - Vinylogous halide - Carboxylic acid hydrazide - Oxacycle - Acetal - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available