2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)ethanamide

Systemtic Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)ethanamide Openeye Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)acetamide CAS Name: 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methylphenyl]thio]-N-(1,3-benzodioxol-5-ylmethyl)acetamide IUPAC Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)acetamide Traditional Name: 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]-N-piperonyl-acetamide Formula: C25H23N3O3S2 MolecularWeight: 477.59842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=C(C=CC=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H23N3O3S2/c1-16-18(13-33-25-27-19-6-2-3-7-20(19)28-25)5-4-8-23(16)32-14-24(29)26-12-17-9-10-21-22(11-17)31-15-30-21/h2-11H,12-15H2,1H3,(H,26,29)(H,27,28)