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OQJ

Summary
Name:N-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide
Formula:C22 H17 Cl N4 O3 S
Formal charge:0
Formula weight:452.913 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide
OpenEye OEToolkits2.0.7~{N}-[6-[(5-chloranyl-2-methoxy-phenyl)carbamoylamino]-1,3-benzothiazol-2-yl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cc(c(cc1Cl)NC(Nc4ccc2c(sc(n2)NC(=O)c3ccccc3)c4)=O)OC
InChIInChI1.03InChI=1S/C22H17ClN4O3S/c1-30-18-10-7-14(23)11-17(18)25-21(29)24-15-8-9-16-19(12-15)31-22(26-16)27-20(28)13-5-3-2-4-6-13/h2-12H,1H3,(H2,24,25,29)(H,26,27,28)
InChIKeyInChI1.03GFYCKNKAOMHFQF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(Cl)cc1NC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2
SMILESCACTVS3.385COc1ccc(Cl)cc1NC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1ccc(cc1NC(=O)Nc2ccc3c(c2)sc(n3)NC(=O)c4ccccc4)Cl
SMILESOpenEye OEToolkits2.0.7COc1ccc(cc1NC(=O)Nc2ccc3c(c2)sc(n3)NC(=O)c4ccccc4)Cl

221371

PDB entries from 2024-06-19

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