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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C26H30N2O2S/c29-24(28-26-13-19-10-20(14-26)12-21(11-19)15-26)17-31-23-9-5-4-8-22(23)25(30)27-16-18-6-2-1-3-7-18/h1-9,19-21H,10-17H2,(H,27,30)(H,28,29)