N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl]-5-nitro-furan-2-carboxamide Openeye Name: N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl]-5-nitro-furan-2-carboxamide CAS Name: N-[2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methylphenyl]thio]ethyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanylethyl]-5-nitrofuran-2-carboxamide Traditional Name: N-[2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]ethyl]-5-nitro-2-furamide Formula: C22H20N4O4S2 MolecularWeight: 468.5486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCNC(=O)C2=CC=C(O2)[N+](=O)[O-])CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=CC=C1SCCNC(=O)C2=CC=C(O2)[N+](=O)[O-])CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H20N4O4S2/c1-14-15(13-32-22-24-16-6-2-3-7-17(16)25-22)5-4-8-19(14)31-12-11-23-21(27)18-9-10-20(30-18)26(28)29/h2-10H,11-13H2,1H3,(H,23,27)(H,24,25)