[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]benzoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzoic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H33N3O5S/c1-15(2)26-24(32)27-21(29)13-33-23(31)19-5-3-4-6-20(19)34-14-22(30)28-25-10-16-7-17(11-25)9-18(8-16)12-25/h3-6,15-18H,7-14H2,1-2H3,(H,28,30)(H2,26,27,29,32)