2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate

Systemtic Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate Openeye Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate CAS Name: N-[(1R,2S)-2-phenylcyclopropyl]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-[(1R,2S)-2-phenylcyclopropyl]carbamate Traditional Name: N-[(1R,2S)-2-phenylcyclopropyl]carbamic acid 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]ethyl ester Formula: C27H27N3O2S2 MolecularWeight: 489.65218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCOC(=O)NC2CC2C3=CC=CC=C3)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=C(C=CC=C1SCCOC(=O)N[C@@H]2C[C@H]2C3=CC=CC=C3)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C27H27N3O2S2/c1-18-20(17-34-26-28-22-11-5-6-12-23(22)29-26)10-7-13-25(18)33-15-14-32-27(31)30-24-16-21(24)19-8-3-2-4-9-19/h2-13,21,24H,14-17H2,1H3,(H,28,29)(H,30,31)/t21-,24+/m0/s1