N-(2,6-diethylphenyl)-4-[1-(4-fluorophenyl)carbonylpiperidin-4-yl]piperidine-1-carbothioamide

Systemtic Name: N-(2,6-diethylphenyl)-4-[1-(4-fluorophenyl)carbonylpiperidin-4-yl]piperidine-1-carbothioamide Openeye Name: N-(2,6-diethylphenyl)-4-[1-(4-fluorobenzoyl)-4-piperidyl]piperidine-1-carbothioamide CAS Name: N-(2,6-diethylphenyl)-4-[1-[(4-fluorophenyl)-oxomethyl]-4-piperidinyl]-1-piperidinecarbothioamide IUPAC Name: N-(2,6-diethylphenyl)-4-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidine-1-carbothioamide Traditional Name: N-(2,6-diethylphenyl)-4-[1-(4-fluorobenzoyl)-4-piperidyl]piperidine-1-carbothioamide Formula: C28H36FN3OS MolecularWeight: 481.668343

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCC(CC2)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCC(CC2)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H36FN3OS/c1-3-20-6-5-7-21(4-2)26(20)30-28(34)32-18-14-23(15-19-32)22-12-16-31(17-13-22)27(33)24-8-10-25(29)11-9-24/h5-11,22-23H,3-4,12-19H2,1-2H3,(H,30,34)