2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-N-pentan-3-yl-ethanamide

Systemtic Name: 2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-N-pentan-3-yl-ethanamide Openeye Name: N-(1-ethylpropyl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-acetamide CAS Name: 2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]-N-pentan-3-ylacetamide IUPAC Name: 2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanyl-N-pentan-3-ylacetamide Traditional Name: N-(1-ethylpropyl)-2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]acetamide Formula: C21H24N4O4S MolecularWeight: 428.50466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NC2=C(N1C3=CC=CC=C3OC)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NC2=C(N1C3=CC=CC=C3OC)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S/c1-4-14(5-2)22-20(26)13-30-21-23-16-12-15(25(27)28)10-11-17(16)24(21)18-8-6-7-9-19(18)29-3/h6-12,14H,4-5,13H2,1-3H3,(H,22,26)