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

Systemtic Name: N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl]furan-2-carboxamide Openeye Name: N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl]furan-2-carboxamide CAS Name: N-[2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methylphenyl]thio]ethyl]-2-furancarboxamide IUPAC Name: N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanylethyl]furan-2-carboxamide Traditional Name: N-[2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]ethyl]-2-furamide Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCNC(=O)C2=CC=CO2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=CC=C1SCCNC(=O)C2=CC=CO2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H21N3O2S2/c1-15-16(14-29-22-24-17-7-2-3-8-18(17)25-22)6-4-10-20(15)28-13-11-23-21(26)19-9-5-12-27-19/h2-10,12H,11,13-14H2,1H3,(H,23,26)(H,24,25)