N-(1-adamantyl)-4-ethanoyl-piperazine-1-carbothioamide

Systemtic Name: N-(1-adamantyl)-4-ethanoyl-piperazine-1-carbothioamide Openeye Name: 4-acetyl-N-(1-adamantyl)piperazine-1-carbothioamide CAS Name: 4-acetyl-N-(1-adamantyl)-1-piperazinecarbothioamide IUPAC Name: 4-acetyl-N-(1-adamantyl)piperazine-1-carbothioamide Traditional Name: 4-acetyl-N-(1-adamantyl)piperazine-1-carbothioamide Formula: C17H27N3OS MolecularWeight: 321.48078

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=S)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=S)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C17H27N3OS/c1-12(21)19-2-4-20(5-3-19)16(22)18-17-9-13-6-14(10-17)8-15(7-13)11-17/h13-15H,2-11H2,1H3,(H,18,22)