ethyl 4-[2-[1-[(2-fluorophenyl)methylcarbamothioyl]piperidin-4-yl]-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[1-[(2-fluorophenyl)methylcarbamothioyl]piperidin-4-yl]-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-[(2-fluorophenyl)methylcarbamothioyl]-4-piperidyl]-6-methyl-pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[1-[[(2-fluorophenyl)methylamino]-sulfanylidenemethyl]-4-piperidinyl]-6-methyl-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-[(2-fluorophenyl)methylcarbamothioyl]piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[1-[(2-fluorobenzyl)thiocarbamoyl]-4-piperidyl]-6-methyl-nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H34FN5O3S MolecularWeight: 527.653963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=S)NCC4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=S)NCC4=CC=CC=C4F

InChI

InChI=1S/C27H34FN5O3S/c1-3-36-27(35)33-16-14-31(15-17-33)25(34)22-9-8-19(2)30-24(22)20-10-12-32(13-11-20)26(37)29-18-21-6-4-5-7-23(21)28/h4-9,20H,3,10-18H2,1-2H3,(H,29,37)