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A1EKA

Summary
Name:6-chloranyl-1,1-bis(oxidanylidene)-~{N}-(2-pyrrolidin-1-ylphenyl)-1,2-benzothiazol-3-amine
Formula:C17 H16 Cl N3 O2 S
Formal charge:0
Formula weight:361.846 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.76-chloranyl-1,1-bis(oxidanylidene)-~{N}-(2-pyrrolidin-1-ylphenyl)-1,2-benzothiazol-3-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C17H16ClN3O2S/c18-12-7-8-13-16(11-12)24(22,23)20-17(13)19-14-5-1-2-6-15(14)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10H2,(H,19,20)
InChIKeyInChI1.06LREBZGRACAYBHK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1ccc2C(=N[S](=O)(=O)c2c1)Nc3ccccc3N4CCCC4
SMILESCACTVS3.385Clc1ccc2C(=N[S](=O)(=O)c2c1)Nc3ccccc3N4CCCC4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(c(c1)NC2=NS(=O)(=O)c3c2ccc(c3)Cl)N4CCCC4
SMILESOpenEye OEToolkits2.0.7c1ccc(c(c1)NC2=NS(=O)(=O)c3c2ccc(c3)Cl)N4CCCC4

250835

PDB entries from 2026-03-18

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