N-(1-adamantyl)-4-[1-[(3,5-dimethoxyphenyl)methyl]imidazol-2-yl]piperidine-1-carbothioamide

Systemtic Name: N-(1-adamantyl)-4-[1-[(3,5-dimethoxyphenyl)methyl]imidazol-2-yl]piperidine-1-carbothioamide Openeye Name: N-(1-adamantyl)-4-[1-[(3,5-dimethoxyphenyl)methyl]imidazol-2-yl]piperidine-1-carbothioamide CAS Name: N-(1-adamantyl)-4-[1-[(3,5-dimethoxyphenyl)methyl]-2-imidazolyl]-1-piperidinecarbothioamide IUPAC Name: N-(1-adamantyl)-4-[1-[(3,5-dimethoxyphenyl)methyl]imidazol-2-yl]piperidine-1-carbothioamide Traditional Name: N-(1-adamantyl)-4-[1-(3,5-dimethoxybenzyl)imidazol-2-yl]piperidine-1-carbothioamide Formula: C28H38N4O2S MolecularWeight: 494.69192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2C=CN=C2C3CCN(CC3)C(=S)NC45CC6CC(C4)CC(C6)C5)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2C=CN=C2C3CCN(CC3)C(=S)NC45CC6CC(C4)CC(C6)C5)OC

InChI

InChI=1S/C28H38N4O2S/c1-33-24-12-22(13-25(14-24)34-2)18-32-8-5-29-26(32)23-3-6-31(7-4-23)27(35)30-28-15-19-9-20(16-28)11-21(10-19)17-28/h5,8,12-14,19-21,23H,3-4,6-7,9-11,15-18H2,1-2H3,(H,30,35)