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

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(3-methylphenyl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(m-tolyl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(3-methylphenyl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(m-tolyl)benzamide Formula: C26H30N2O2S MolecularWeight: 434.5936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H30N2O2S/c1-17-5-4-6-21(9-17)27-25(30)22-7-2-3-8-23(22)31-16-24(29)28-26-13-18-10-19(14-26)12-20(11-18)15-26/h2-9,18-20H,10-16H2,1H3,(H,27,30)(H,28,29)