Compound Identification
SMILES
CCCN1C(=S)N(C(=O)\C(=C\C2=C(C)N(C(C)=C2)C2=C(C#N)C3=C(CCCC3)S2)C1=O)C1=CC=CC=C1
InChIKey
InChIKey=ZAFOOOXEALWISE-XQNSMLJCSA-N
Formula
C29H28N4O2S2
Mass
528.69
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 Substituted pyrroles Diazinanes Thiophenes Heteroaromatic compounds Thioureas Nitriles Carboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-phenylthiourea - Thiobarbiturate - 1,3-diazinane - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Thiophene - Thiourea - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Cyanide - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - 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