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

Systemtic Name: N-(4-ethoxyphenyl)-4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidine-1-carbothioamide Openeye Name: 4-[1-(4-benzyloxybutyl)imidazol-2-yl]-N-(4-ethoxyphenyl)piperidine-1-carbothioamide CAS Name: N-(4-ethoxyphenyl)-4-[1-(4-phenylmethoxybutyl)-2-imidazolyl]-1-piperidinecarbothioamide IUPAC Name: N-(4-ethoxyphenyl)-4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidine-1-carbothioamide Traditional Name: 4-[1-(4-benzoxybutyl)imidazol-2-yl]-N-p-phenetyl-piperidine-1-carbothioamide Formula: C28H36N4O2S MolecularWeight: 492.67604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C3=NC=CN3CCCCOCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C3=NC=CN3CCCCOCC4=CC=CC=C4

InChI

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