Compound Identification
SMILES
COC1=C(OC)C=C(CCN(CC2=CC=CS2)C(=O)CN(C2CC2)C(=O)NC2=CC(C)=C(C)C=C2)C=C1
InChIKey
InChIKey=MMBBPBXKGIMZAD-UHFFFAOYSA-N
Formula
C29H35N3O4S
Mass
521.68
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
Dimethoxybenzenes Alpha amino acids and derivatives o-Xylenes Phenoxy compounds Anisoles Alkyl aryl ethers Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Ureas Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - N-phenylurea - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - O-xylene - Xylene - Phenol ether - Methoxybenzene - Alkyl aryl ether - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - Carboxamide group - Urea - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - 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