Compound Identification
SMILES
COC1=C(OC)C=C(C=C2C(=O)N(C3=NC(=CS3)C3=CC=CC=C3)C(=S)N(C2=O)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=SFTRBXBVUHVPIG-UHFFFAOYSA-N
Formula
C28H21N3O4S2
Mass
527.61
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
Dimethoxybenzenes Thiobarbituric acid derivatives Phenoxy compounds Anisoles Alkyl aryl ethers 2,4-disubstituted thiazoles Diazinanes Heteroaromatic compounds Thioureas Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - O-dimethoxybenzene - Dimethoxybenzene - Thiobarbiturate - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - 1,3-diazinane - Azole - Heteroaromatic compound - Thiazole - Thiourea - Azacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxide - 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