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

Systemtic Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl N-pentylcarbamate Openeye Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl N-pentylcarbamate CAS Name: N-pentylcarbamic 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-pentylcarbamate Traditional Name: N-amylcarbamic acid 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]ethyl ester Formula: C23H29N3O2S2 MolecularWeight: 443.62526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)OCCSC1=CC=CC(=C1C)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCCCCNC(=O)OCCSC1=CC=CC(=C1C)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C23H29N3O2S2/c1-3-4-7-13-24-23(27)28-14-15-29-21-12-8-9-18(17(21)2)16-30-22-25-19-10-5-6-11-20(19)26-22/h5-6,8-12H,3-4,7,13-16H2,1-2H3,(H,24,27)(H,25,26)