N-(1-adamantyl)-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(1-adamantyl)-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxamide Openeye Name: N-(1-adamantyl)-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-pyridine-3-carboxamide CAS Name: N-(1-adamantyl)-2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-3-pyridinecarboxamide IUPAC Name: N-(1-adamantyl)-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxamide Traditional Name: N-(1-adamantyl)-2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]nicotinamide Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=C(N=CC=C4)SCC(=O)NC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=C(N=CC=C4)SCC(=O)NC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H27N3O4S/c29-22(27-18-3-4-20-21(9-18)32-14-31-20)13-33-24-19(2-1-5-26-24)23(30)28-25-10-15-6-16(11-25)8-17(7-15)12-25/h1-5,9,15-17H,6-8,10-14H2,(H,27,29)(H,28,30)