2-[1-[(2-fluorophenyl)methylcarbamothioyl]piperidin-4-yl]-N-(4-imidazol-1-ylphenyl)-6-methyl-pyridine-3-carboxamide

Systemtic Name: 2-[1-[(2-fluorophenyl)methylcarbamothioyl]piperidin-4-yl]-N-(4-imidazol-1-ylphenyl)-6-methyl-pyridine-3-carboxamide Openeye Name: 2-[1-[(2-fluorophenyl)methylcarbamothioyl]-4-piperidyl]-N-(4-imidazol-1-ylphenyl)-6-methyl-pyridine-3-carboxamide CAS Name: 2-[1-[[(2-fluorophenyl)methylamino]-sulfanylidenemethyl]-4-piperidinyl]-N-[4-(1-imidazolyl)phenyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: 2-[1-[(2-fluorophenyl)methylcarbamothioyl]piperidin-4-yl]-N-(4-imidazol-1-ylphenyl)-6-methylpyridine-3-carboxamide Traditional Name: 2-[1-[(2-fluorobenzyl)thiocarbamoyl]-4-piperidyl]-N-(4-imidazol-1-ylphenyl)-6-methyl-nicotinamide Formula: C29H29FN6OS MolecularWeight: 528.643563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C=CN=C3)C4CCN(CC4)C(=S)NCC5=CC=CC=C5F

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C=CN=C3)C4CCN(CC4)C(=S)NCC5=CC=CC=C5F

InChI

InChI=1S/C29H29FN6OS/c1-20-6-11-25(28(37)34-23-7-9-24(10-8-23)36-17-14-31-19-36)27(33-20)21-12-15-35(16-13-21)29(38)32-18-22-4-2-3-5-26(22)30/h2-11,14,17,19,21H,12-13,15-16,18H2,1H3,(H,32,38)(H,34,37)