2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(3-methylsulfanylphenyl)benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(3-methylsulfanylphenyl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(3-methylsulfanylphenyl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-[3-(methylthio)phenyl]benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(3-methylsulfanylphenyl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-[3-(methylthio)phenyl]benzamide Formula: C26H30N2O2S2 MolecularWeight: 466.6586

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H30N2O2S2/c1-31-21-6-4-5-20(12-21)27-25(30)22-7-2-3-8-23(22)32-16-24(29)28-26-13-17-9-18(14-26)11-19(10-17)15-26/h2-8,12,17-19H,9-11,13-16H2,1H3,(H,27,30)(H,28,29)