4-[1-(2-cyclopentylethanoyl)piperidin-4-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carbothioamide

Systemtic Name: 4-[1-(2-cyclopentylethanoyl)piperidin-4-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carbothioamide Openeye Name: 4-[1-(2-cyclopentylacetyl)-4-piperidyl]-N-(3-methylsulfanylphenyl)piperidine-1-carbothioamide CAS Name: 4-[1-(2-cyclopentyl-1-oxoethyl)-4-piperidinyl]-N-[3-(methylthio)phenyl]-1-piperidinecarbothioamide IUPAC Name: 4-[1-(2-cyclopentylacetyl)piperidin-4-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carbothioamide Traditional Name: 4-[1-(2-cyclopentylacetyl)-4-piperidyl]-N-[3-(methylthio)phenyl]piperidine-1-carbothioamide Formula: C25H37N3OS2 MolecularWeight: 459.71078

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=S)N2CCC(CC2)C3CCN(CC3)C(=O)CC4CCCC4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=S)N2CCC(CC2)C3CCN(CC3)C(=O)CC4CCCC4

InChI

InChI=1S/C25H37N3OS2/c1-31-23-8-4-7-22(18-23)26-25(30)28-15-11-21(12-16-28)20-9-13-27(14-10-20)24(29)17-19-5-2-3-6-19/h4,7-8,18-21H,2-3,5-6,9-17H2,1H3,(H,26,30)