4-(2-adamantyl)-N-(3-ethanoylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-adamantyl)-N-(3-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: N-(3-acetylphenyl)-4-(2-adamantyl)piperazine-1-carbothioamide CAS Name: N-(3-acetylphenyl)-4-(2-adamantyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-acetylphenyl)-4-(2-adamantyl)piperazine-1-carbothioamide Traditional Name: N-(3-acetylphenyl)-4-(2-adamantyl)piperazine-1-carbothioamide Formula: C23H31N3OS MolecularWeight: 397.57674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C23H31N3OS/c1-15(27)18-3-2-4-21(14-18)24-23(28)26-7-5-25(6-8-26)22-19-10-16-9-17(12-19)13-20(22)11-16/h2-4,14,16-17,19-20,22H,5-13H2,1H3,(H,24,28)