Compound Identification
SMILES
CC1=NC(=CS1)C1=CC=C(CNC(=S)NCC2=CC3=C(OCO3)C=C2)S1
InChIKey
InChIKey=CLEJACRCMAAXLP-UHFFFAOYSA-N
Formula
C18H17N3O2S3
Mass
403.53
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
2,5-disubstituted thiophenes 2,4-disubstituted thiazoles Benzenoids Heteroaromatic compounds Thioureas Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - 2,4-disubstituted 1,3-thiazole - 2,5-disubstituted thiophene - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Thiophene - Thiourea - Oxacycle - Acetal - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen 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