4-(2-adamantyl)-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-adamantyl)-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-adamantyl)-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(2-adamantyl)-N-(3,5-dimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-adamantyl)-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-adamantyl)-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide Formula: C23H33N3O2S MolecularWeight: 415.59202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5)OC

InChI

InChI=1S/C23H33N3O2S/c1-27-20-12-19(13-21(14-20)28-2)24-23(29)26-5-3-25(4-6-26)22-17-8-15-7-16(10-17)11-18(22)9-15/h12-18,22H,3-11H2,1-2H3,(H,24,29)