Compound Identification
SMILES
COC1=CC=C(C=C1)N1N=C(C2=NN=C(NC3=CC=CC=C3)S2)C2=CSC(NC(=S)NC3=CC=CC=C3)=C2C1=O
InChIKey
InChIKey=QMPDOEPBUJKROH-UHFFFAOYSA-N
Formula
C28H21N7O2S3
Mass
583.7
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
Thieno[3,4-d]pyridazines Methoxyanilines Anisoles Phenoxy compounds Methoxybenzenes 2-amino-5-substituted-1,3,4-thiadiazoles Alkyl aryl ethers Pyridazinones Vinylogous amides Thiophenes Heteroaromatic compounds Thioureas Lactams Azacyclic compounds Secondary amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-phenylthiourea - Thieno[3,4-d]pyridazine - Thienopyridazine - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Pyridazinone - 2-amino-5-substituted-1,3,4-thiadiazole - 2-amino-1,3,4-thiadiazole - Pyridazine - Vinylogous amide - Azole - Heteroaromatic compound - Thiadiazole - Thiophene - Lactam - Thiourea - Organoheterocyclic compound - Ether - Azacycle - Secondary amine - Amine - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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