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

Systemtic Name: N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl]-1,2-oxazole-5-carboxamide Openeye Name: N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl]isoxazole-5-carboxamide CAS Name: N-[2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methylphenyl]thio]ethyl]-5-isoxazolecarboxamide IUPAC Name: N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanylethyl]-1,2-oxazole-5-carboxamide Traditional Name: N-[2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]ethyl]isoxazole-5-carboxamide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCNC(=O)C2=CC=NO2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=CC=C1SCCNC(=O)C2=CC=NO2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H20N4O2S2/c1-14-15(13-29-21-24-16-6-2-3-7-17(16)25-21)5-4-8-19(14)28-12-11-22-20(26)18-9-10-23-27-18/h2-10H,11-13H2,1H3,(H,22,26)(H,24,25)