N-[4-[2-(phenylmethylsulfanyl)ethanoylamino]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[2-(phenylmethylsulfanyl)ethanoylamino]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[(2-benzylsulfanylacetyl)amino]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[[1-oxo-2-(phenylmethylthio)ethyl]amino]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[(2-benzylsulfanylacetyl)amino]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[[2-(benzylthio)acetyl]amino]phenyl]adamantane-1-carboxamide Formula: C26H30N2O2S MolecularWeight: 434.5936

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)NC(=O)CSCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)NC(=O)CSCC5=CC=CC=C5

InChI

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