2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl N-(4-fluorophenyl)carbonylcarbamate

Systemtic Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl N-(4-fluorophenyl)carbonylcarbamate Openeye Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl N-(4-fluorobenzoyl)carbamate CAS Name: N-[(4-fluorophenyl)-oxomethyl]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-(4-fluorobenzoyl)carbamate Traditional Name: N-(4-fluorobenzoyl)carbamic acid 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]ethyl ester Formula: C25H22FN3O3S2 MolecularWeight: 495.588883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22FN3O3S2/c1-16-18(15-34-24-27-20-6-2-3-7-21(20)28-24)5-4-8-22(16)33-14-13-32-25(31)29-23(30)17-9-11-19(26)12-10-17/h2-12H,13-15H2,1H3,(H,27,28)(H,29,30,31)