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2EK

Summary
Name:1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea
Formula:C13 H15 Cl2 N3 O S2
Formal charge:0
Formula weight:364.314 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea
OpenEye OEToolkits1.7.61-[3-[[2,5-bis(chloranyl)thiophen-3-yl]methylamino]propyl]-3-thiophen-3-yl-urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1sc(Cl)cc1CNCCCNC(=O)Nc2ccsc2
InChIInChI1.03InChI=1S/C13H15Cl2N3OS2/c14-11-6-9(12(15)21-11)7-16-3-1-4-17-13(19)18-10-2-5-20-8-10/h2,5-6,8,16H,1,3-4,7H2,(H2,17,18,19)
InChIKeyInChI1.03SZYXSDCUJDMWNQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1sc(Cl)c(CNCCCNC(=O)Nc2cscc2)c1
SMILESCACTVS3.385Clc1sc(Cl)c(CNCCCNC(=O)Nc2cscc2)c1
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cscc1NC(=O)NCCCNCc2cc(sc2Cl)Cl
SMILESOpenEye OEToolkits1.7.6c1cscc1NC(=O)NCCCNCc2cc(sc2Cl)Cl

223532

PDB entries from 2024-08-07

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