N-(2-fluoranyl-4-methyl-phenyl)-2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(2-fluoranyl-4-methyl-phenyl)-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-fluoro-4-methyl-phenyl)thiazole-4-carboxamide CAS Name: N-(2-fluoro-4-methylphenyl)-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(2-fluoro-4-methylphenyl)-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-fluoro-4-methyl-phenyl)thiazole-4-carboxamide Formula: C25H25FN4O2S2 MolecularWeight: 496.620003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25FN4O2S2/c1-3-13-33-24-18(5-4-10-27-24)25(32)30-11-8-17(9-12-30)23-29-21(15-34-23)22(31)28-20-7-6-16(2)14-19(20)26/h3-7,10,14-15,17H,1,8-9,11-13H2,2H3,(H,28,31)