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

Systemtic Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl N-(phenylmethyl)carbamate Openeye Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl N-benzylcarbamate CAS Name: N-(phenylmethyl)carbamic 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-benzylcarbamate Traditional Name: N-benzylcarbamic acid 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]ethyl ester Formula: C25H25N3O2S2 MolecularWeight: 463.6149

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCOC(=O)NCC2=CC=CC=C2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=CC=C1SCCOC(=O)NCC2=CC=CC=C2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C25H25N3O2S2/c1-18-20(17-32-24-27-21-11-5-6-12-22(21)28-24)10-7-13-23(18)31-15-14-30-25(29)26-16-19-8-3-2-4-9-19/h2-13H,14-17H2,1H3,(H,26,29)(H,27,28)