Compound Identification
SMILES
COC(=O)C1=C(C)C(C(=O)OC)=C(NC(=S)NC2=CC=CC(CN3C=C(Cl)C=N3)=C2)S1
InChIKey
InChIKey=ZMIAPRSCNKEHFP-UHFFFAOYSA-N
Formula
C20H19ClN4O4S2
Mass
478.97
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylthioureas
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylthioureas
Intermediate Tree Nodes
Not available
Direct Parent
N-phenylthioureas
Alternative Parents
Thiophene carboxylic acids and derivatives Dicarboxylic acids and derivatives Aryl chlorides Vinylogous amides Pyrazoles Methyl esters Heteroaromatic compounds Thioureas Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Thiophene carboxylic acid or derivatives - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Azole - Pyrazole - Thiophene - Methyl ester - Vinylogous amide - Heteroaromatic compound - Thiourea - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group.
External Descriptors
Not available