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

Systemtic Name: N-(1-adamantyl)-4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidine-1-carbothioamide Openeye Name: N-(1-adamantyl)-4-[1-(4-benzyloxybutyl)imidazol-2-yl]piperidine-1-carbothioamide CAS Name: N-(1-adamantyl)-4-[1-(4-phenylmethoxybutyl)-2-imidazolyl]-1-piperidinecarbothioamide IUPAC Name: N-(1-adamantyl)-4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidine-1-carbothioamide Traditional Name: N-(1-adamantyl)-4-[1-(4-benzoxybutyl)imidazol-2-yl]piperidine-1-carbothioamide Formula: C30H42N4OS MolecularWeight: 506.74568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=CN2CCCCOCC3=CC=CC=C3)C(=S)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCC1C2=NC=CN2CCCCOCC3=CC=CC=C3)C(=S)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H42N4OS/c36-29(32-30-19-24-16-25(20-30)18-26(17-24)21-30)34-12-8-27(9-13-34)28-31-10-14-33(28)11-4-5-15-35-22-23-6-2-1-3-7-23/h1-3,6-7,10,14,24-27H,4-5,8-9,11-13,15-22H2,(H,32,36)