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42T

Summary
Name:3-{[(2,6-dichlorophenyl)carbamoyl]amino}-N-hydroxy-N'-phenyl-5-(trifluoromethyl)benzenecarboximidamide
Synonyms:CBR-9379
Formula:C21 H15 Cl2 F3 N4 O2
Formal charge:0
Formula weight:483.271 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-{[(2,6-dichlorophenyl)carbamoyl]amino}-N-hydroxy-N'-phenyl-5-(trifluoromethyl)benzenecarboximidamide
OpenEye OEToolkits1.9.21-[2,6-bis(chloranyl)phenyl]-3-[3-[(E)-N-oxidanyl-N'-phenyl-carbamimidoyl]-5-(trifluoromethyl)phenyl]urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc3cccc(Cl)c3NC(=O)Nc2cc(C(=N\c1ccccc1)/NO)cc(c2)C(F)(F)F
InChIInChI1.03InChI=1S/C21H15Cl2F3N4O2/c22-16-7-4-8-17(23)18(16)29-20(31)28-15-10-12(9-13(11-15)21(24,25)26)19(30-32)27-14-5-2-1-3-6-14/h1-11,32H,(H,27,30)(H2,28,29,31)
InChIKeyInChI1.03CPPHCXNOGUJCGB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385ONC(=Nc1ccccc1)c2cc(NC(=O)Nc3c(Cl)cccc3Cl)cc(c2)C(F)(F)F
SMILESCACTVS3.385ONC(=Nc1ccccc1)c2cc(NC(=O)Nc3c(Cl)cccc3Cl)cc(c2)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc(cc1)/N=C(\c2cc(cc(c2)NC(=O)Nc3c(cccc3Cl)Cl)C(F)(F)F)/NO
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)N=C(c2cc(cc(c2)NC(=O)Nc3c(cccc3Cl)Cl)C(F)(F)F)NO

223532

건을2024-08-07부터공개중

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