The Biofilms Structural Database
|
|
The Biofilms Structural Database |
M64 |
|
|---|---|
6B8A |
|
Code
CZG | |
|
Name |
2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide |
|
Molecular Weight |
420.44 |
|
Isomeric SMILES |
[O-][N+](=O)c1ccc2[nH]c(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)nc2c1 |
|
Formula |
C21H16N4O4S |
|
Identifiers |
2-[(5-nitro-1~{H}-benzimidazol-2-yl)sulfanyl]-~{N}-(4-phenoxyphenyl)ethanamide |
|
Formal Charge |
0 |
|
InChI |
InChI=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) |
|
Atom Count |
46 |
|
InChIKey |
IPZUVKDSPDAHMB-UHFFFAOYSA-N |
|
PDB codes |
6B8A |
|
Type |
NON-POLYMER |
|
Chiral Atom Count |
0 |
|
Chiral Atoms |
n/a |
|
Bond Count |
49 |
|
Aromatic Bond Count |
22 |
|
Leaving Atoms |
n/a |