Compound Identification
SMILES
CC1=CC=C(C=C1)N1C(=S)NC(=O)C(=CC2=CC=C(CN(CCC#N)S(C)(=O)=O)O2)C1=O
InChIKey
InChIKey=IAZDSTFFBWKXFL-UHFFFAOYSA-N
Formula
C21H20N4O5S2
Mass
472.53
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 Organosulfonamides Organic sulfonamides Diazinanes Aminosulfonyl compounds Furans Heteroaromatic compounds Thioureas Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Nitriles Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Thiobarbiturate - Toluene - 1,3-diazinane - Organic sulfonic acid amide - Organosulfonic acid amide - Furan - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Thiourea - Carboxylic acid derivative - Carbonitrile - Nitrile - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Cyanide - 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