Compound Identification
SMILES
NNC(=O)C1=CC=NC=C1.CC(C)CCOC1=CC=C(NC(=S)NC2=CC=C(OCCC(C)C)C=C2)C=C1.CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(N=C(N)N)C(O)C2N=C(N)N)OC(C)C1(O)C=O
InChIKey
InChIKey=PGKZEVDSNDWMDH-UHFFFAOYSA-N
Formula
C50H78N12O15S
Mass
1119.3
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
Pyridinecarboxylic acids and derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Heteroaromatic compounds Thioureas Carboxylic acid hydrazides Polyols Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
N-phenylthiourea - Pyridine carboxylic acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyridine - Heteroaromatic compound - Carboxylic acid hydrazide - Thiourea - Carboxylic acid derivative - Ether - Polyol - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen 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