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

Systemtic Name: ethyl 4-[6-methyl-2-[1-(2-morpholin-4-ylethylcarbamothioyl)piperidin-4-yl]pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[6-methyl-2-[1-(2-morpholinoethylcarbamothioyl)-4-piperidyl]pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[6-methyl-2-[1-[[2-(4-morpholinyl)ethylamino]-sulfanylidenemethyl]-4-piperidinyl]-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-methyl-2-[1-(2-morpholin-4-ylethylcarbamothioyl)piperidin-4-yl]pyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[6-methyl-2-[1-(2-morpholinoethylthiocarbamoyl)-4-piperidyl]nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H40N6O4S MolecularWeight: 532.6986

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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)NCCN4CCOCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=S)NCCN4CCOCC4

InChI

InChI=1S/C26H40N6O4S/c1-3-36-26(34)32-14-12-30(13-15-32)24(33)22-5-4-20(2)28-23(22)21-6-9-31(10-7-21)25(37)27-8-11-29-16-18-35-19-17-29/h4-5,21H,3,6-19H2,1-2H3,(H,27,37)