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Summary Geometry Related PDB entries

37J

Summary

Name:	2-{[2-(trifluoromethoxy)benzoyl]amino}-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
Formula:	C20 H11 F6 N5 O3 S
Formal charge:	0
Formula weight:	515.388 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-{[2-(trifluoromethoxy)benzoyl]amino}-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
OpenEye OEToolkits	1.9.2	N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-[[2-(trifluoromethyloxy)phenyl]carbonylamino]-1,3-thiazole-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc3nc(C(=O)Nc2nc1ccc(cc1n2)C(F)(F)F)cs3)c4ccccc4OC(F)(F)F
InChI	InChI	1.03	InChI=1S/C20H11F6N5O3S/c21-19(22,23)9-5-6-11-12(7-9)28-17(27-11)30-16(33)13-8-35-18(29-13)31-15(32)10-3-1-2-4-14(10)34-20(24,25)26/h1-8H,(H,29,31,32)(H2,27,28,30,33)
InChIKey	InChI	1.03	GUWQZSKMUJFZMM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	FC(F)(F)Oc1ccccc1C(=O)Nc2scc(n2)C(=O)Nc3[nH]c4cc(ccc4n3)C(F)(F)F
SMILES	CACTVS	3.385	FC(F)(F)Oc1ccccc1C(=O)Nc2scc(n2)C(=O)Nc3[nH]c4cc(ccc4n3)C(F)(F)F
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	c1ccc(c(c1)C(=O)Nc2nc(cs2)C(=O)Nc3[nH]c4cc(ccc4n3)C(F)(F)F)OC(F)(F)F
SMILES	OpenEye OEToolkits	1.9.2	c1ccc(c(c1)C(=O)Nc2nc(cs2)C(=O)Nc3[nH]c4cc(ccc4n3)C(F)(F)F)OC(F)(F)F

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