N-(3-methylsulfanylphenyl)-4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidine-1-carbothioamide

Systemtic Name: N-(3-methylsulfanylphenyl)-4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidine-1-carbothioamide Openeye Name: 4-[1-(4-benzyloxybutyl)imidazol-2-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carbothioamide CAS Name: N-[3-(methylthio)phenyl]-4-[1-(4-phenylmethoxybutyl)-2-imidazolyl]-1-piperidinecarbothioamide IUPAC Name: N-(3-methylsulfanylphenyl)-4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidine-1-carbothioamide Traditional Name: 4-[1-(4-benzoxybutyl)imidazol-2-yl]-N-[3-(methylthio)phenyl]piperidine-1-carbothioamide Formula: C27H34N4OS2 MolecularWeight: 494.71506

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=S)N2CCC(CC2)C3=NC=CN3CCCCOCC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=S)N2CCC(CC2)C3=NC=CN3CCCCOCC4=CC=CC=C4

InChI

InChI=1S/C27H34N4OS2/c1-34-25-11-7-10-24(20-25)29-27(33)31-16-12-23(13-17-31)26-28-14-18-30(26)15-5-6-19-32-21-22-8-3-2-4-9-22/h2-4,7-11,14,18,20,23H,5-6,12-13,15-17,19,21H2,1H3,(H,29,33)