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

Systemtic Name: N-(4-fluoranyl-3-nitro-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-(4-fluoro-3-nitro-phenyl)thiazole-4-carboxamide CAS Name: N-(4-fluoro-3-nitrophenyl)-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-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-(4-fluoro-3-nitro-phenyl)thiazole-4-carboxamide Formula: C24H22FN5O4S2 MolecularWeight: 527.590983

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C24H22FN5O4S2/c1-2-12-35-23-17(4-3-9-26-23)24(32)29-10-7-15(8-11-29)22-28-19(14-36-22)21(31)27-16-5-6-18(25)20(13-16)30(33)34/h2-6,9,13-15H,1,7-8,10-12H2,(H,27,31)