967

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Summary

Name:N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-1-benzothiophene-3-sulfonamide
Formula:C12 H8 Br N3 O3 S3
Formal charge:0
Molecular weight:418.309 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-1-benzothiophene-3-sulfonamide
OpenEye OEToolkits2.0.61-(1-benzothiophen-3-ylsulfonyl)-3-(5-bromanyl-1,3-thiazol-2-yl)urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N(C(=O)Nc1sc(cn1)Br)S(c2csc3c2cccc3)(=O)=O
InChIInChI1.03InChI=1S/C12H8BrN3O3S3/c13-10-5-14-12(21-10)15-11(17)16-22(18,19)9-6-20-8-4-2-1-3-7(8)9/h1-6H,(H2,14,15,16,17)
InChIKeyInChI1.03YVUPAWIDSNSGIT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Brc1sc(NC(=O)N[S](=O)(=O)c2csc3ccccc23)nc1
SMILESCACTVS3.385Brc1sc(NC(=O)N[S](=O)(=O)c2csc3ccccc23)nc1
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc2c(c1)c(cs2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br
SMILESOpenEye OEToolkits2.0.6c1ccc2c(c1)c(cs2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br
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