N-(1-adamantylcarbamoyl)-2-quinolin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(2-quinolylsulfanyl)acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-(2-quinolinylthio)acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-(2-quinolylthio)acetamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C22H25N3O2S/c26-19(13-28-20-6-5-17-3-1-2-4-18(17)23-20)24-21(27)25-22-10-14-7-15(11-22)9-16(8-14)12-22/h1-6,14-16H,7-13H2,(H2,24,25,26,27)