Compound Identification
SMILES
CC1=CC=C(C=C1)N1[C@@H]2OC3=CC=CC=C3[C@H]([C@H]2C(=O)N(C1=S)C1=CC=C(C)C=C1)C1C(=O)N(C(=S)N(C1=O)C1=CC=C(C)C=C1)C1=CC=C(C)C=C1
InChIKey
InChIKey=GTLYIJILWSWQNP-FPGWNUSTSA-N
Formula
C43H36N4O4S2
Mass
736.91
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
1-benzopyrans Thiobarbituric acid derivatives Toluenes Diazinanes 1,3-dicarbonyl compounds Thioureas Oxacyclic compounds Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chromane - Benzopyran - N-phenylthiourea - 1-benzopyran - Thiobarbiturate - Toluene - 1,3-diazinane - 1,3-dicarbonyl compound - Thiourea - Azacycle - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen 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