Compound Identification
SMILES
COC1=CC=C(C=C1)N1C(=S)NC(=O)C(=CC2=COC=C2)C1=O
InChIKey
InChIKey=VVTINUCZSUZFJO-UHFFFAOYSA-N
Formula
C16H12N2O4S
Mass
328.34
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 Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Diazinanes Heteroaromatic compounds Furans Thioureas Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Methoxyaniline - Thiobarbiturate - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1,3-diazinane - Furan - Heteroaromatic compound - Thiourea - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - 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