N-(1-adamantyl)-2-[2-[(pyridin-4-ylcarbonylamino)carbamoyl]phenyl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[2-[(pyridin-4-ylcarbonylamino)carbamoyl]phenyl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[2-[(pyridine-4-carbonylamino)carbamoyl]phenyl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[2-[oxo-[[oxo(pyridin-4-yl)methyl]hydrazo]methyl]phenyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[2-[(pyridine-4-carbonylamino)carbamoyl]phenyl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[2-(isonicotinamidocarbamoyl)phenyl]thio]acetamide Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O3S/c30-22(27-25-12-16-9-17(13-25)11-18(10-16)14-25)15-33-21-4-2-1-3-20(21)24(32)29-28-23(31)19-5-7-26-8-6-19/h1-8,16-18H,9-15H2,(H,27,30)(H,28,31)(H,29,32)