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43E

Summary
Name:1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea
Formula:C15 H17 Cl2 N3 O S
Formal charge:0
Formula weight:358.286 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea
OpenEye OEToolkits1.7.21-[3-[[3,5-bis(chloranyl)phenyl]methylamino]propyl]-3-thiophen-3-yl-urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NCCCNCc1cc(Cl)cc(Cl)c1)Nc2ccsc2
InChIInChI1.03InChI=1S/C15H17Cl2N3OS/c16-12-6-11(7-13(17)8-12)9-18-3-1-4-19-15(21)20-14-2-5-22-10-14/h2,5-8,10,18H,1,3-4,9H2,(H2,19,20,21)
InChIKeyInChI1.03DGBJLEREWKGWML-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Clc1cc(Cl)cc(CNCCCNC(=O)Nc2cscc2)c1
SMILESCACTVS3.370Clc1cc(Cl)cc(CNCCCNC(=O)Nc2cscc2)c1
SMILES_CANONICALOpenEye OEToolkits1.7.2c1cscc1NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl
SMILESOpenEye OEToolkits1.7.2c1cscc1NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl

226707

PDB entries from 2024-10-30

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