N-(2,5-dimethylpyrazol-3-yl)-2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(2,5-dimethylpyrazol-3-yl)-2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[1-(2-allylsulfanylpyridine-3-carbonyl)-4-piperidyl]-N-(2,5-dimethylpyrazol-3-yl)thiazole-4-carboxamide CAS Name: N-(2,5-dimethyl-3-pyrazolyl)-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(2,5-dimethylpyrazol-3-yl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-[2-(allylthio)nicotinoyl]-4-piperidyl]-N-(2,5-dimethylpyrazol-3-yl)thiazole-4-carboxamide Formula: C23H26N6O2S2 MolecularWeight: 482.62154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C)C

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C)C

InChI

InChI=1S/C23H26N6O2S2/c1-4-12-32-22-17(6-5-9-24-22)23(31)29-10-7-16(8-11-29)21-25-18(14-33-21)20(30)26-19-13-15(2)27-28(19)3/h4-6,9,13-14,16H,1,7-8,10-12H2,2-3H3,(H,26,30)