95M

?

Summary

Name:N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide
Formula:C12 H14 Br N3 O3 S3
Formal charge:0
Molecular weight:424.357 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide
OpenEye OEToolkits2.0.61-(5-bromanyl-1,3-thiazol-2-yl)-3-[5-(2-methylpropyl)thiophen-2-yl]sulfonyl-urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(=O)(NS(c1sc(CC(C)C)cc1)(=O)=O)Nc2sc(Br)cn2
InChIInChI1.03InChI=1S/C12H14BrN3O3S3/c1-7(2)5-8-3-4-10(20-8)22(18,19)16-11(17)15-12-14-6-9(13)21-12/h3-4,6-7H,5H2,1-2H3,(H2,14,15,16,17)
InChIKeyInChI1.03ZCLMGAPJJHGZCV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)Cc1sc(cc1)[S](=O)(=O)NC(=O)Nc2sc(Br)cn2
SMILESCACTVS3.385CC(C)Cc1sc(cc1)[S](=O)(=O)NC(=O)Nc2sc(Br)cn2
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(C)Cc1ccc(s1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br
SMILESOpenEye OEToolkits2.0.6CC(C)Cc1ccc(s1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br
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