tert-butyl 4-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethylcarbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethylcarbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethylcarbamoyl]piperidine-1-carboxylate CAS Name: 4-[[2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methylphenyl]thio]ethylamino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanylethylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]ethylcarbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H36N4O3S2 MolecularWeight: 540.74044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCNC(=O)C2CCN(CC2)C(=O)OC(C)(C)C)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=CC=C1SCCNC(=O)C2CCN(CC2)C(=O)OC(C)(C)C)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C28H36N4O3S2/c1-19-21(18-37-26-30-22-9-5-6-10-23(22)31-26)8-7-11-24(19)36-17-14-29-25(33)20-12-15-32(16-13-20)27(34)35-28(2,3)4/h5-11,20H,12-18H2,1-4H3,(H,29,33)(H,30,31)