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H36

Summary
Name:N,N'-[ethane-1,2-diylbis(oxybenzene-3,1-diyl)]dithiophene-2-carboximidamide
Formula:C24 H22 N4 O2 S2
Formal charge:0
Formula weight:462.587 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N,N'-[ethane-1,2-diylbis(oxybenzene-3,1-diyl)]dithiophene-2-carboximidamide
OpenEye OEToolkits1.7.6N-[3-[2-[3-[(C-thiophen-2-ylcarbonimidoyl)amino]phenoxy]ethoxy]phenyl]thiophene-2-carboximidamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01s1cccc1C(=[N@H])Nc4cccc(OCCOc3cc(NC(=[N@H])c2sccc2)ccc3)c4
InChIInChI1.03InChI=1S/C24H22N4O2S2/c25-23(21-9-3-13-31-21)27-17-5-1-7-19(15-17)29-11-12-30-20-8-2-6-18(16-20)28-24(26)22-10-4-14-32-22/h1-10,13-16H,11-12H2,(H2,25,27)(H2,26,28)
InChIKeyInChI1.03FJVFGYSUSVNZDG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370N=C(Nc1cccc(OCCOc2cccc(NC(=N)c3sccc3)c2)c1)c4sccc4
SMILESCACTVS3.370N=C(Nc1cccc(OCCOc2cccc(NC(=N)c3sccc3)c2)c1)c4sccc4
SMILES_CANONICALOpenEye OEToolkits1.7.6[H]/N=C(\Nc1cc(ccc1)OCCOc2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4
SMILESOpenEye OEToolkits1.7.6c1cc(cc(c1)OCCOc2cccc(c2)NC(=N)c3cccs3)NC(=N)c4cccs4

218853

PDB entries from 2024-04-24

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