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

Systemtic Name: 4-[1-[(3,5-dimethoxyphenyl)methyl]imidazol-2-yl]-N-(4-phenylbutyl)piperidine-1-carbothioamide Openeye Name: 4-[1-[(3,5-dimethoxyphenyl)methyl]imidazol-2-yl]-N-(4-phenylbutyl)piperidine-1-carbothioamide CAS Name: 4-[1-[(3,5-dimethoxyphenyl)methyl]-2-imidazolyl]-N-(4-phenylbutyl)-1-piperidinecarbothioamide IUPAC Name: 4-[1-[(3,5-dimethoxyphenyl)methyl]imidazol-2-yl]-N-(4-phenylbutyl)piperidine-1-carbothioamide Traditional Name: 4-[1-(3,5-dimethoxybenzyl)imidazol-2-yl]-N-(4-phenylbutyl)piperidine-1-carbothioamide Formula: C28H36N4O2S MolecularWeight: 492.67604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2C=CN=C2C3CCN(CC3)C(=S)NCCCCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2C=CN=C2C3CCN(CC3)C(=S)NCCCCC4=CC=CC=C4)OC

InChI

InChI=1S/C28H36N4O2S/c1-33-25-18-23(19-26(20-25)34-2)21-32-17-14-29-27(32)24-11-15-31(16-12-24)28(35)30-13-7-6-10-22-8-4-3-5-9-22/h3-5,8-9,14,17-20,24H,6-7,10-13,15-16,21H2,1-2H3,(H,30,35)