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KTD

Summary
Name:1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-phenylethyl)urea
Formula:C15 H12 N4 O2 S
Formal charge:0
Formula weight:312.346 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-phenylethyl)urea
OpenEye OEToolkits1.7.61-(1,2,3-benzothiadiazol-6-yl)-3-phenacyl-urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1ccccc1)CNC(=O)Nc2ccc3nnsc3c2
InChIInChI1.03InChI=1S/C15H12N4O2S/c20-13(10-4-2-1-3-5-10)9-16-15(21)17-11-6-7-12-14(8-11)22-19-18-12/h1-8H,9H2,(H2,16,17,21)
InChIKeyInChI1.03PKHSKYFMULMNOC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370O=C(NCC(=O)c1ccccc1)Nc2ccc3nnsc3c2
SMILESCACTVS3.370O=C(NCC(=O)c1ccccc1)Nc2ccc3nnsc3c2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)C(=O)CNC(=O)Nc2ccc3c(c2)snn3
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)C(=O)CNC(=O)Nc2ccc3c(c2)snn3

223532

数据于2024-08-07公开中

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