Compound Identification
SMILES
CCCCNC(=S)N(C[C@@H](NC(=O)CC1=CN=CN1CC1=CC=C(C=C1)[N+]([O-])=O)[C@@H](C)CC)CC1=C(Cl)C(Cl)=CC=C1
InChIKey
InChIKey=ZBXFQTDXOOSLBK-KDYSTLNUSA-N
Formula
C30H38Cl2N6O3S
Mass
633.63
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Dichlorobenzenes Nitroaromatic compounds Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Thioureas Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Carbonyl compounds Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Carboxamide group - Organic nitro compound - C-nitro compound - Thiourea - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available