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RO8

Summary
Name:N-{[(2Z)-5-bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide
Synonyms:RO5062408
Formula:C10 H7 Br Cl N3 O3 S2
Formal charge:0
Formula weight:396.668 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{[(2Z)-5-bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide
OpenEye OEToolkits1.6.1(1Z)-1-(5-bromo-3H-1,3-thiazol-2-ylidene)-3-(3-chlorophenyl)sulfonyl-urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01BrC=2S/C(=N\C(=O)NS(=O)(=O)c1cccc(Cl)c1)NC=2
SMILES_CANONICALCACTVS3.352Clc1cccc(c1)[S](=O)(=O)NC(=O)N=C2NC=C(Br)S2
SMILESCACTVS3.352Clc1cccc(c1)[S](=O)(=O)NC(=O)N=C2NC=C(Br)S2
SMILES_CANONICALOpenEye OEToolkits1.6.1c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)/N=C\2/NC=C(S2)Br
SMILESOpenEye OEToolkits1.6.1c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)N=C2NC=C(S2)Br
InChIInChI1.03InChI=1S/C10H7BrClN3O3S2/c11-8-5-13-10(19-8)14-9(16)15-20(17,18)7-3-1-2-6(12)4-7/h1-5H,(H2,13,14,15,16)
InChIKeyInChI1.03VRHXEPNJEQXSSS-UHFFFAOYSA-N

223532

数据于2024-08-07公开中

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