N-[3-(2-pyridin-2-ylsulfanylethanoylamino)phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-(2-pyridin-2-ylsulfanylethanoylamino)phenyl]adamantane-1-carboxamide Openeye Name: N-[3-[[2-(2-pyridylsulfanyl)acetyl]amino]phenyl]adamantane-1-carboxamide CAS Name: N-[3-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[(2-pyridin-2-ylsulfanylacetyl)amino]phenyl]adamantane-1-carboxamide Traditional Name: N-[3-[[2-(2-pyridylthio)acetyl]amino]phenyl]adamantane-1-carboxamide Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=CC=C4)NC(=O)CSC5=CC=CC=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=CC=C4)NC(=O)CSC5=CC=CC=N5

InChI

InChI=1S/C24H27N3O2S/c28-21(15-30-22-6-1-2-7-25-22)26-19-4-3-5-20(11-19)27-23(29)24-12-16-8-17(13-24)10-18(9-16)14-24/h1-7,11,16-18H,8-10,12-15H2,(H,26,28)(H,27,29)