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

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-cycloheptyl-benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-cycloheptyl-benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-cycloheptylbenzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-cycloheptylbenzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-cycloheptyl-benzamide Formula: C26H36N2O2S MolecularWeight: 440.64124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCCC(CC1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H36N2O2S/c29-24(28-26-14-18-11-19(15-26)13-20(12-18)16-26)17-31-23-10-6-5-9-22(23)25(30)27-21-7-3-1-2-4-8-21/h5-6,9-10,18-21H,1-4,7-8,11-17H2,(H,27,30)(H,28,29)