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

Systemtic Name: N-(1-adamantyl)-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbothioamide Openeye Name: N-(1-adamantyl)-4-[1-[(3,5-dimethylisoxazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbothioamide CAS Name: N-(1-adamantyl)-4-[1-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-imidazolyl]-1-piperidinecarbothioamide IUPAC Name: N-(1-adamantyl)-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbothioamide Traditional Name: N-(1-adamantyl)-4-[1-[(3,5-dimethylisoxazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbothioamide Formula: C25H35N5OS MolecularWeight: 453.6433

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2C=CN=C2C3CCN(CC3)C(=S)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C(=NO1)C)CN2C=CN=C2C3CCN(CC3)C(=S)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H35N5OS/c1-16-22(17(2)31-28-16)15-30-8-5-26-23(30)21-3-6-29(7-4-21)24(32)27-25-12-18-9-19(13-25)11-20(10-18)14-25/h5,8,18-21H,3-4,6-7,9-15H2,1-2H3,(H,27,32)