Compound Identification
SMILES
COC1=C(OC)C=C(CCN(CC2=CC=CS2)C(=O)CN(CC2CCCO2)C(=O)NC2=CC(Cl)=CC=C2)C=C1
InChIKey
InChIKey=MPXICZMIQHFIRV-UHFFFAOYSA-N
Formula
C29H34ClN3O5S
Mass
572.12
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylureas
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylureas
Intermediate Tree Nodes
Not available
Direct Parent
N-phenylureas
Alternative Parents
Alpha amino acids and derivatives Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Chlorobenzenes Aryl chlorides Thiophenes Tertiary carboxylic acid amides Oxolanes Heteroaromatic compounds Ureas Oxacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylurea - Dimethoxybenzene - Alpha-amino acid or derivatives - O-dimethoxybenzene - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl halide - Aryl chloride - Thiophene - Tertiary carboxylic acid amide - Oxolane - Heteroaromatic compound - Carboxamide group - Urea - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
External Descriptors
Not available