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W45

Summary
Name:N-[5-(5,6-dichloro-1H-indol-1-yl)pentyl]-2-sulfanylacetamide
Formula:C15 H18 Cl2 N2 O S
Formal charge:0
Formula weight:345.287 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[5-(5,6-dichloro-1H-indol-1-yl)pentyl]-2-sulfanylacetamide
OpenEye OEToolkits2.0.6~{N}-[5-[5,6-bis(chloranyl)indol-1-yl]pentyl]-2-sulfanyl-ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(NCCCCCn2ccc1cc(c(cc12)Cl)Cl)(CS)=O
InChIInChI1.03InChI=1S/C15H18Cl2N2OS/c16-12-8-11-4-7-19(14(11)9-13(12)17)6-3-1-2-5-18-15(20)10-21/h4,7-9,21H,1-3,5-6,10H2,(H,18,20)
InChIKeyInChI1.03MHKHGVSRGWQPII-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385SCC(=O)NCCCCCn1ccc2cc(Cl)c(Cl)cc12
SMILESCACTVS3.385SCC(=O)NCCCCCn1ccc2cc(Cl)c(Cl)cc12
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cn(c2c1cc(c(c2)Cl)Cl)CCCCCNC(=O)CS
SMILESOpenEye OEToolkits2.0.6c1cn(c2c1cc(c(c2)Cl)Cl)CCCCCNC(=O)CS

218853

PDB entries from 2024-04-24

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