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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[4-(4-pyridylmethyl)piperazine-1-carbonyl]-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyridin-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[4-(4-pyridylmethyl)piperazine-1-carbonyl]-2-pyridyl]thio]acetamide Formula: C25H25N5O4S MolecularWeight: 491.5621

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H25N5O4S/c31-23(28-19-3-4-21-22(14-19)34-17-33-21)16-35-24-20(2-1-7-27-24)25(32)30-12-10-29(11-13-30)15-18-5-8-26-9-6-18/h1-9,14H,10-13,15-17H2,(H,28,31)