95P

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Summary

Name:4-bromo-N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-chlorothiophene-2-sulfonamide
Formula:C8 H4 Br2 Cl N3 O3 S3
Formal charge:0
Molecular weight:481.592 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-bromo-N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-chlorothiophene-2-sulfonamide
OpenEye OEToolkits2.0.61-(4-bromanyl-5-chloranyl-thiophen-2-yl)sulfonyl-3-(5-bromanyl-1,3-thiazol-2-yl)urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(sc(cn1)Br)NC(=O)NS(c2cc(c(Cl)s2)Br)(=O)=O
InChIInChI1.03InChI=1S/C8H4Br2ClN3O3S3/c9-3-1-5(19-6(3)11)20(16,17)14-7(15)13-8-12-2-4(10)18-8/h1-2H,(H2,12,13,14,15)
InChIKeyInChI1.03KCDHTUJNBLJXDX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1sc(cc1Br)[S](=O)(=O)NC(=O)Nc2sc(Br)cn2
SMILESCACTVS3.385Clc1sc(cc1Br)[S](=O)(=O)NC(=O)Nc2sc(Br)cn2
SMILES_CANONICALOpenEye OEToolkits2.0.6c1c(c(sc1S(=O)(=O)NC(=O)Nc2ncc(s2)Br)Cl)Br
SMILESOpenEye OEToolkits2.0.6c1c(c(sc1S(=O)(=O)NC(=O)Nc2ncc(s2)Br)Cl)Br
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