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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-(4-phenylpiperazin-1-yl)carbonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(4-phenylpiperazine-1-carbonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-(4-phenylpiperazine-1-carbonyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(4-phenylpiperazine-1-carbonyl)-2-pyridyl]thio]acetamide Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H24N4O4S/c30-23(27-18-8-9-21-22(15-18)33-17-32-21)16-34-24-20(7-4-10-26-24)25(31)29-13-11-28(12-14-29)19-5-2-1-3-6-19/h1-10,15H,11-14,16-17H2,(H,27,30)