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

Systemtic Name: N-[4-[[2-(phenylmethylsulfanyl)phenyl]carbonylamino]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[(2-benzylsulfanylbenzoyl)amino]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[[oxo-[2-(phenylmethylthio)phenyl]methyl]amino]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[(2-benzylsulfanylbenzoyl)amino]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[[2-(benzylthio)benzoyl]amino]phenyl]adamantane-1-carboxamide Formula: C31H32N2O2S MolecularWeight: 496.66298

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5SCC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5SCC6=CC=CC=C6

InChI

InChI=1S/C31H32N2O2S/c34-29(27-8-4-5-9-28(27)36-20-21-6-2-1-3-7-21)32-25-10-12-26(13-11-25)33-30(35)31-17-22-14-23(18-31)16-24(15-22)19-31/h1-13,22-24H,14-20H2,(H,32,34)(H,33,35)