2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-3-carboxamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-3-carboxamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-3-carboxamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-pyridinecarboxamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-3-carboxamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)nicotinamide Formula: C24H21N3O6S MolecularWeight: 479.50504

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNC(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H21N3O6S/c28-22(27-15-7-8-19-21(10-15)32-14-31-19)13-34-24-17(4-3-9-25-24)23(29)26-11-16-12-30-18-5-1-2-6-20(18)33-16/h1-10,16H,11-14H2,(H,26,29)(H,27,28)