N-(2-adamantylideneamino)-2-quinolin-8-ylsulfanyl-ethanamide

Systemtic Name: N-(2-adamantylideneamino)-2-quinolin-8-ylsulfanyl-ethanamide Openeye Name: N-(2-adamantylideneamino)-2-(8-quinolylsulfanyl)acetamide CAS Name: N-(2-adamantylideneamino)-2-(8-quinolinylthio)acetamide IUPAC Name: N-(2-adamantylideneamino)-2-quinolin-8-ylsulfanylacetamide Traditional Name: N-(2-adamantylideneamino)-2-(8-quinolylthio)acetamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3=NNC(=O)CSC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3=NNC(=O)CSC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C21H23N3OS/c25-19(12-26-18-5-1-3-15-4-2-6-22-21(15)18)23-24-20-16-8-13-7-14(10-16)11-17(20)9-13/h1-6,13-14,16-17H,7-12H2,(H,23,25)