The Biofilms Structural Database
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
Chiral Atoms
n/a
Bond Count
49
Aromatic Bond Count
22
Leaving Atoms