ethyl 4-[[2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazol-4-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazol-4-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-(2-allylsulfanylpyridine-3-carbonyl)-4-piperidyl]thiazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[1-[2-(allylthio)nicotinoyl]-4-piperidyl]thiazole-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H31N5O4S2 MolecularWeight: 529.67474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C

InChI

InChI=1S/C25H31N5O4S2/c1-3-16-35-22-19(6-5-9-26-22)23(31)28-10-7-18(8-11-28)21-27-20(17-36-21)24(32)29-12-14-30(15-13-29)25(33)34-4-2/h3,5-6,9,17-18H,1,4,7-8,10-16H2,2H3