2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H28N2O2S/c28-22(25-11-15-7-16(12-25)9-17(8-15)13-25)14-30-23-10-20(24(29)26-18-5-6-18)19-3-1-2-4-21(19)27-23/h1-4,10,15-18H,5-9,11-14H2,(H,26,29)