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

Systemtic Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl N-(phenylcarbonyl)carbamate Openeye Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl N-benzoylcarbamate CAS Name: N-benzoylcarbamic 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-benzoylcarbamate Traditional Name: N-benzoylcarbamic acid 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]ethyl ester Formula: C25H23N3O3S2 MolecularWeight: 477.59842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O3S2/c1-17-19(16-33-24-26-20-11-5-6-12-21(20)27-24)10-7-13-22(17)32-15-14-31-25(30)28-23(29)18-8-3-2-4-9-18/h2-13H,14-16H2,1H3,(H,26,27)(H,28,29,30)