CZG

?

Summary

Name:2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
Formula:C21 H16 N4 O4 S
Formal charge:0
Molecular weight:420.441 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
OpenEye OEToolkits2.0.62-[(5-nitro-1~{H}-benzimidazol-2-yl)sulfanyl]-~{N}-(4-phenoxyphenyl)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c4(ccc3nc(SCC(Nc1ccc(cc1)Oc2ccccc2)=O)nc3c4)[N+]([O-])=O
InChIInChI1.03InChI=1S/C21H16N4O4S/c26-20(13-30-21-23-18-11-8-15(25(27)28)12-19(18)24-21)22-14-6-9-17(10-7-14)29-16-4-2-1-3-5-16/h1-12H,13H2,(H,22,26)(H,23,24)
InChIKeyInChI1.03IPZUVKDSPDAHMB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385[O-][N+](=O)c1ccc2[nH]c(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)nc2c1
SMILESCACTVS3.385[O-][N+](=O)c1ccc2[nH]c(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)nc2c1
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)Oc2ccc(cc2)NC(=O)CSc3[nH]c4ccc(cc4n3)[N+](=O)[O-]
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)Oc2ccc(cc2)NC(=O)CSc3[nH]c4ccc(cc4n3)[N+](=O)[O-]
167327
PDB entries from 2020-08-05