91E

2-[[3-[(3-azanyl-2,2-dimethyl-propyl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide

Created: 2017-03-31
Last modified:  2017-06-07

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Chemical Details

Formal Charge0
Atom Count58
Chiral Atom Count0
Bond Count60
Aromatic Bond Count17
2D diagram of 91E
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Chemical Component Summary

Name2-[[3-[(3-azanyl-2,2-dimethyl-propyl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide
Systematic Name (OpenEye OEToolkits)2-[[3-[(3-azanyl-2,2-dimethyl-propyl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide
FormulaC23 H26 Cl N5 O2 S
Molecular Weight472.003
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cccc(c3)C(=O)NCC(C)(C)CN)nc2
SMILESOpenEye OEToolkits2.0.6Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NCC(C)(C)CN)Cl
Canonical SMILESCACTVS3.385 Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cccc(c3)C(=O)NCC(C)(C)CN)nc2
Canonical SMILESOpenEye OEToolkits2.0.6 Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NCC(C)(C)CN)Cl
InChIInChI1.03 InChI=1S/C23H26ClN5O2S/c1-14-6-4-9-17(24)19(14)29-21(31)18-11-26-22(32-18)28-16-8-5-7-15(10-16)20(30)27-13-23(2,3)12-25/h4-11H,12-13,25H2,1-3H3,(H,26,28)(H,27,30)(H,29,31)
InChIKeyInChI1.03 DVESFPFOHKUMHP-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 127053578