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

Systemtic Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl N-(3-bromophenyl)carbamate Openeye Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl N-(3-bromophenyl)carbamate CAS Name: N-(3-bromophenyl)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-(3-bromophenyl)carbamate Traditional Name: N-(3-bromophenyl)carbamic acid 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]ethyl ester Formula: C24H22BrN3O2S2 MolecularWeight: 528.48438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCOC(=O)NC2=CC(=CC=C2)Br)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=CC=C1SCCOC(=O)NC2=CC(=CC=C2)Br)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C24H22BrN3O2S2/c1-16-17(15-32-23-27-20-9-2-3-10-21(20)28-23)6-4-11-22(16)31-13-12-30-24(29)26-19-8-5-7-18(25)14-19/h2-11,14H,12-13,15H2,1H3,(H,26,29)(H,27,28)