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

Systemtic Name: ethyl 4-[2-[1-[2-(cyclohexen-1-yl)ethylcarbamothioyl]piperidin-4-yl]-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-4-piperidyl]-6-methyl-pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[1-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-4-piperidinyl]-6-methyl-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-[2-(cyclohexen-1-yl)ethylcarbamothioyl]piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[1-[2-(cyclohexen-1-yl)ethylthiocarbamoyl]-4-piperidyl]-6-methyl-nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C28H41N5O3S MolecularWeight: 527.72184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=S)NCCC4=CCCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=S)NCCC4=CCCCC4

InChI

InChI=1S/C28H41N5O3S/c1-3-36-28(35)33-19-17-31(18-20-33)26(34)24-10-9-21(2)30-25(24)23-12-15-32(16-13-23)27(37)29-14-11-22-7-5-4-6-8-22/h7,9-10,23H,3-6,8,11-20H2,1-2H3,(H,29,37)