2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanyl-N-(4-butylphenyl)ethanamide

Systemtic Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanyl-N-(4-butylphenyl)ethanamide Openeye Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanyl-N-(4-butylphenyl)acetamide CAS Name: 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methylphenyl]thio]-N-(4-butylphenyl)acetamide IUPAC Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanyl-N-(4-butylphenyl)acetamide Traditional Name: 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]-N-(4-butylphenyl)acetamide Formula: C27H29N3OS2 MolecularWeight: 475.66866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2C)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2C)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C27H29N3OS2/c1-3-4-8-20-13-15-22(16-14-20)28-26(31)18-32-25-12-7-9-21(19(25)2)17-33-27-29-23-10-5-6-11-24(23)30-27/h5-7,9-16H,3-4,8,17-18H2,1-2H3,(H,28,31)(H,29,30)