N-(1-adamantyl)-4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidine-1-carbothioamide

Systemtic Name: N-(1-adamantyl)-4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidine-1-carbothioamide Openeye Name: N-(1-adamantyl)-4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidine-1-carbothioamide CAS Name: N-(1-adamantyl)-4-[1-[(4-methoxyphenyl)methyl]-2-imidazolyl]-1-piperidinecarbothioamide IUPAC Name: N-(1-adamantyl)-4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidine-1-carbothioamide Traditional Name: N-(1-adamantyl)-4-(1-p-anisylimidazol-2-yl)piperidine-1-carbothioamide Formula: C27H36N4OS MolecularWeight: 464.66594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4OS/c1-32-24-4-2-19(3-5-24)18-31-11-8-28-25(31)23-6-9-30(10-7-23)26(33)29-27-15-20-12-21(16-27)14-22(13-20)17-27/h2-5,8,11,20-23H,6-7,9-10,12-18H2,1H3,(H,29,33)