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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-(3-oxidanylidenepiperazin-1-yl)carbonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(3-oxopiperazine-1-carbonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[oxo-(3-oxo-1-piperazinyl)methyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-(3-oxopiperazine-1-carbonyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(3-ketopiperazine-1-carbonyl)-2-pyridyl]thio]acetamide Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=O)C2=C(N=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC(=O)N1)C(=O)C2=C(N=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H18N4O5S/c24-16-9-23(7-6-20-16)19(26)13-2-1-5-21-18(13)29-10-17(25)22-12-3-4-14-15(8-12)28-11-27-14/h1-5,8H,6-7,9-11H2,(H,20,24)(H,22,25)