N-(1,3-benzodioxol-5-yl)-2-[3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonylpyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyridin-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]-2-pyridyl]thio]acetamide Formula: C24H25N4O4S2+ MolecularWeight: 497.6097

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H24N4O4S2/c29-22(26-17-5-6-20-21(13-17)32-16-31-20)15-34-23-19(4-1-7-25-23)24(30)28-10-8-27(9-11-28)14-18-3-2-12-33-18/h1-7,12-13H,8-11,14-16H2,(H,26,29)/p+1