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

Systemtic Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl N-phenethylcarbamate Openeye Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl N-phenethylcarbamate CAS Name: N-phenethylcarbamic acid 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methylphenyl]thio]ethyl ester IUPAC Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanylethyl N-phenethylcarbamate Traditional Name: N-phenethylcarbamic acid 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]ethyl ester Formula: C26H27N3O2S2 MolecularWeight: 477.64148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCOC(=O)NCCC2=CC=CC=C2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=CC=C1SCCOC(=O)NCCC2=CC=CC=C2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C26H27N3O2S2/c1-19-21(18-33-25-28-22-11-5-6-12-23(22)29-25)10-7-13-24(19)32-17-16-31-26(30)27-15-14-20-8-3-2-4-9-20/h2-13H,14-18H2,1H3,(H,27,30)(H,28,29)