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A1EPB

Summary
Name:4-(3,4-dihydro-1~{H}-isoquinolin-2-ylsulfonyl)-~{N}'-(4-methyl-1,3-benzothiazol-2-yl)benzohydrazide
Formula:C24 H22 N4 O3 S2
Formal charge:0
Formula weight:478.586 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-(3,4-dihydro-1~{H}-isoquinolin-2-ylsulfonyl)-~{N}'-(4-methyl-1,3-benzothiazol-2-yl)benzohydrazide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C24H22N4O3S2/c1-16-5-4-8-21-22(16)25-24(32-21)27-26-23(29)18-9-11-20(12-10-18)33(30,31)28-14-13-17-6-2-3-7-19(17)15-28/h2-12H,13-15H2,1H3,(H,25,27)(H,26,29)
InChIKeyInChI1.06OGQZDQLJGGMHSN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cccc2sc(NNC(=O)c3ccc(cc3)[S](=O)(=O)N4CCc5ccccc5C4)nc12
SMILESCACTVS3.385Cc1cccc2sc(NNC(=O)c3ccc(cc3)[S](=O)(=O)N4CCc5ccccc5C4)nc12
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cccc2c1nc(s2)NNC(=O)c3ccc(cc3)S(=O)(=O)N4CCc5ccccc5C4
SMILESOpenEye OEToolkits2.0.7Cc1cccc2c1nc(s2)NNC(=O)c3ccc(cc3)S(=O)(=O)N4CCc5ccccc5C4

255239

PDB entries from 2026-06-17

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