2-(1-adamantyl)-N-(quinolin-8-ylcarbamothioyl)ethanamide

Systemtic Name: 2-(1-adamantyl)-N-(quinolin-8-ylcarbamothioyl)ethanamide Openeye Name: 2-(1-adamantyl)-N-(8-quinolylcarbamothioyl)acetamide CAS Name: 2-(1-adamantyl)-N-[(8-quinolinylamino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-(quinolin-8-ylcarbamothioyl)acetamide Traditional Name: 2-(1-adamantyl)-N-(8-quinolylthiocarbamoyl)acetamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C22H25N3OS/c26-19(13-22-10-14-7-15(11-22)9-16(8-14)12-22)25-21(27)24-18-5-1-3-17-4-2-6-23-20(17)18/h1-6,14-16H,7-13H2,(H2,24,25,26,27)