2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanyl-N-(2-methylpropyl)ethanamide

Systemtic Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanyl-N-(2-methylpropyl)ethanamide Openeye Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanyl-N-isobutyl-acetamide CAS Name: 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methylphenyl]thio]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanyl-N-(2-methylpropyl)acetamide Traditional Name: 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]-N-isobutyl-acetamide Formula: C21H25N3OS2 MolecularWeight: 399.5727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCC(=O)NCC(C)C)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=C(C=CC=C1SCC(=O)NCC(C)C)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H25N3OS2/c1-14(2)11-22-20(25)13-26-19-10-6-7-16(15(19)3)12-27-21-23-17-8-4-5-9-18(17)24-21/h4-10,14H,11-13H2,1-3H3,(H,22,25)(H,23,24)