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

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-heptan-2-yl-benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(1-methylhexyl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-heptan-2-ylbenzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-heptan-2-ylbenzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(1-methylhexyl)benzamide Formula: C26H38N2O2S MolecularWeight: 442.65712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O2S/c1-3-4-5-8-18(2)27-25(30)22-9-6-7-10-23(22)31-17-24(29)28-26-14-19-11-20(15-26)13-21(12-19)16-26/h6-7,9-10,18-21H,3-5,8,11-17H2,1-2H3,(H,27,30)(H,28,29)