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

Systemtic Name: ethyl 4-[[2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazol-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[1-(2-allylsulfanylpyridine-3-carbonyl)-4-piperidyl]thiazole-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[oxo-[2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolyl]methyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[1-[2-(allylthio)nicotinoyl]-4-piperidyl]thiazole-4-carbonyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C26H33N5O4S2 MolecularWeight: 543.70132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C

InChI

InChI=1S/C26H33N5O4S2/c1-3-16-36-24-20(6-5-11-27-24)25(33)30-12-7-18(8-13-30)23-29-21(17-37-23)22(32)28-19-9-14-31(15-10-19)26(34)35-4-2/h3,5-6,11,17-19H,1,4,7-10,12-16H2,2H3,(H,28,32)