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L70

Summary
Name:(3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide
Formula:C19 H28 Cl2 N4 O2 S2
Formal charge:0
Formula weight:479.487 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits3.1.0.0(3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C19H28Cl2N4O2S2/c1-24(2)7-9-29-28-8-5-23-18(26)13-4-3-6-25(12-13)19(27)15-10-14(20)11-16(21)17(15)22/h10-11,13H,3-9,12,22H2,1-2H3,(H,23,26)/t13-/m0/s1
InChIKeyInChI1.06CPSPVIZMUGBZBR-ZDUSSCGKSA-N
SMILES_CANONICALCACTVS3.385CN(C)CCSSCCNC(=O)[C@H]1CCCN(C1)C(=O)c2cc(Cl)cc(Cl)c2N
SMILESCACTVS3.385CN(C)CCSSCCNC(=O)[CH]1CCCN(C1)C(=O)c2cc(Cl)cc(Cl)c2N
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CN(C)CCSSCCNC(=O)[C@H]1CCCN(C1)C(=O)c2cc(cc(c2N)Cl)Cl
SMILESOpenEye OEToolkits3.1.0.0CN(C)CCSSCCNC(=O)C1CCCN(C1)C(=O)c2cc(cc(c2N)Cl)Cl

222415

건을2024-07-10부터공개중

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