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

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

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

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C23H33N3O2S/c1-27-19-3-4-21(28-2)20(14-19)24-23(29)26-7-5-25(6-8-26)22-17-10-15-9-16(12-17)13-18(22)11-15/h3-4,14-18,22H,5-13H2,1-2H3,(H,24,29)


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