EWT

2-azanyl-~{N}-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazole-6-carboxamide

Created:	2018-04-27
Last modified:	2019-04-03

Find Related PDB Entry
1 entries where EWT is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	16

2D diagram of EWT

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-azanyl-~{N}-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazole-6-carboxamide
Systematic Name (OpenEye OEToolkits)	2-azanyl-~{N}-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazole-6-carboxamide
Formula	C₁₅ H₁₁ Cl₂ N₃ O S
Molecular Weight	352.238
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1sc2cc(ccc2n1)C(=O)NCc3ccc(Cl)c(Cl)c3
SMILES	OpenEye OEToolkits	2.0.6	c1cc(c(cc1CNC(=O)c2ccc3c(c2)sc(n3)N)Cl)Cl
Canonical SMILES	CACTVS	3.385	Nc1sc2cc(ccc2n1)C(=O)NCc3ccc(Cl)c(Cl)c3
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(c(cc1CNC(=O)c2ccc3c(c2)sc(n3)N)Cl)Cl
InChI	InChI	1.03	InChI=1S/C15H11Cl2N3OS/c16-10-3-1-8(5-11(10)17)7-19-14(21)9-2-4-12-13(6-9)22-15(18)20-12/h1-6H,7H2,(H2,18,20)(H,19,21)
InChIKey	InChI	1.03	JOBYYAUGFMYSBN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137628312

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.