Compound Identification
SMILES
CC1=C(Cl)C=C(C=C1)N1C(=S)NC(=O)C(=CC2=CC=C(CN(CCC#N)S(C)(=O)=O)O2)C1=O
InChIKey
InChIKey=ZEQVJIAYUGJEQU-UHFFFAOYSA-N
Formula
C21H19ClN4O5S2
Mass
506.98
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
Thiobarbituric acid derivatives Toluenes Chlorobenzenes Organosulfonamides Organic sulfonamides Aryl chlorides Diazinanes Aminosulfonyl compounds Heteroaromatic compounds Furans Thioureas Oxacyclic compounds Nitriles Azacyclic compounds Carboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Thiobarbiturate - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - 1,3-diazinane - Organic sulfonic acid amide - Organosulfonic acid amide - Furan - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Thiourea - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Carbonitrile - Nitrile - Cyanide - Organohalogen compound - Organochloride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen 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