Compound Identification
SMILES
CCNC(=S)N1CCN(CC2=CC(C)=C(OCC3COC(CN4C=CN=C4)(O3)C3=C(Cl)C=C(Cl)C=C3)C(Cl)=C2)CC1
InChIKey
InChIKey=JGGPMNGJCSPLAR-UHFFFAOYSA-N
Formula
C29H34Cl3N5O3S
Mass
639.03
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Halobenzenes
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Level 5
Chlorobenzenes
- Level 6 Dichlorobenzenes
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Level 5
Chlorobenzenes
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Subclass
Halobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Chlorobenzenes
Direct Parent
Dichlorobenzenes
Alternative Parents
Benzylamines Phenol ethers Phenoxy compounds Phenylmethylamines Aralkylamines Alkyl aryl ethers N-alkylpiperazines Ketals Toluenes N-substituted imidazoles Aryl chlorides Heteroaromatic compounds 1,3-dioxolanes Thioureas Trialkylamines Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzylamine - Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Ketal - Toluene - N-alkylpiperazine - Aralkylamine - Aryl chloride - Aryl halide - 1,4-diazinane - N-substituted imidazole - Piperazine - Heteroaromatic compound - Azole - Imidazole - Meta-dioxolane - Tertiary amine - Thiourea - Tertiary aliphatic amine - Acetal - Organoheterocyclic compound - Ether - Oxacycle - Azacycle - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
External Descriptors
Not available