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1QE

Summary
Name:N,N'-(ethane-1,2-diyldibenzene-3,1-diyl)dithiophene-2-carboximidamide
Formula:C24 H22 N4 S2
Formal charge:0
Formula weight:430.588 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01s1cccc1C(=[N@H])Nc2cccc(c2)CCc3cc(ccc3)NC(=[N@H])c4sccc4
InChIInChI1.03InChI=1S/C24H22N4S2/c25-23(21-9-3-13-29-21)27-19-7-1-5-17(15-19)11-12-18-6-2-8-20(16-18)28-24(26)22-10-4-14-30-22/h1-10,13-16H,11-12H2,(H2,25,27)(H2,26,28)
InChIKeyInChI1.03MNMWXAHXXVXJBB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370N=C(Nc1cccc(CCc2cccc(NC(=N)c3sccc3)c2)c1)c4sccc4
SMILESCACTVS3.370N=C(Nc1cccc(CCc2cccc(NC(=N)c3sccc3)c2)c1)c4sccc4
SMILES_CANONICALOpenEye OEToolkits1.7.6[H]/N=C(\Nc1cc(ccc1)CCc2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4
SMILESOpenEye OEToolkits1.7.6c1cc(cc(c1)NC(=N)c2cccs2)CCc3cccc(c3)NC(=N)c4cccs4

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PDB entries from 2024-04-24

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