Compound Identification
SMILES
CC1=C(C)C(=CC=C1)N1C(=S)NC(=O)C(=CC2=CN(CC#N)C3=CC=CC=C23)C1=O
InChIKey
InChIKey=QSIQFTUHVCJQPC-UHFFFAOYSA-N
Formula
C23H18N4O2S
Mass
414.48
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
N-alkylindoles Thiobarbituric acid derivatives Indoles o-Xylenes Substituted pyrroles Diazinanes Heteroaromatic compounds Thioureas Nitriles Carboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-phenylthiourea - N-alkylindole - Indole - Indole or derivatives - Thiobarbiturate - O-xylene - Xylene - 1,3-diazinane - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Thiourea - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carbonitrile - Nitrile - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Cyanide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Aromatic heteropolycyclic 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