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F90

Summary
Name:4-chlorobenzyl carbamimidothioate
Formula:C8 H9 Cl N2 S
Formal charge:0
Formula weight:200.688 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-chlorobenzyl carbamimidothioate
OpenEye OEToolkits1.7.0(4-chlorophenyl)methyl carbamimidothioate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccc(cc1)CSC(=[N@H])N
SMILES_CANONICALCACTVS3.370NC(=N)SCc1ccc(Cl)cc1
SMILESCACTVS3.370NC(=N)SCc1ccc(Cl)cc1
SMILES_CANONICALOpenEye OEToolkits1.7.0[H]/N=C(\N)/SCc1ccc(cc1)Cl
SMILESOpenEye OEToolkits1.7.0c1cc(ccc1CSC(=N)N)Cl
InChIInChI1.03InChI=1S/C8H9ClN2S/c9-7-3-1-6(2-4-7)5-12-8(10)11/h1-4H,5H2,(H3,10,11)
InChIKeyInChI1.03YOCWIHYZDHPSHD-UHFFFAOYSA-N

217705

PDB entries from 2024-03-27

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