4-[[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-[(6-nitro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetyl]amino]methyl]benzoic acid Formula: C17H14N4O5S MolecularWeight: 386.38186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H14N4O5S/c22-15(18-8-10-1-3-11(4-2-10)16(23)24)9-27-17-19-13-6-5-12(21(25)26)7-14(13)20-17/h1-7H,8-9H2,(H,18,22)(H,19,20)(H,23,24)