2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-[2-(isobutyrylamino)ethyl]benzamide Formula: C25H35N3O3S MolecularWeight: 457.6287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O3S/c1-16(2)23(30)26-7-8-27-24(31)20-5-3-4-6-21(20)32-15-22(29)28-25-12-17-9-18(13-25)11-19(10-17)14-25/h3-6,16-19H,7-15H2,1-2H3,(H,26,30)(H,27,31)(H,28,29)