Compound Identification
SMILES
CC(C)(C)C1=NC2=C(C=C(NC(=S)N3CC[N+](C)([O-])CC3)C=C2)N1S(C)(=O)=O
InChIKey
InChIKey=NBRSEFLDWBGGQN-UHFFFAOYSA-N
Formula
C18H27N5O3S2
Mass
425.57
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzimidazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzimidazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzimidazoles
Alternative Parents
N-methylpiperazines N-substituted imidazoles Benzenoids Trialkyl amine oxides Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Thioureas Tertiary amines Trisubstituted amine oxides and derivatives Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - N-alkylpiperazine - N-methylpiperazine - 1,4-diazinane - N-substituted imidazole - Piperazine - Benzenoid - Azole - Trialkyl amine oxide - Imidazole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiourea - Tertiary amine - Trisubstituted n-oxide - Azacycle - N-oxide - Organic zwitterion - Organic salt - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
External Descriptors
Not available