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

Systemtic Name: N-(5-phenyl-1H-pyrazol-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-(5-phenyl-1H-pyrazol-3-yl)thiazole-4-carboxamide CAS Name: 2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-N-(5-phenyl-1H-pyrazol-3-yl)-4-thiazolecarboxamide IUPAC Name: N-(5-phenyl-1H-pyrazol-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-(5-phenyl-1H-pyrazol-3-yl)thiazole-4-carboxamide Formula: C27H26N6O2S2 MolecularWeight: 530.66434

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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=NNC(=C4)C5=CC=CC=C5

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NC4=NNC(=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N6O2S2/c1-2-15-36-26-20(9-6-12-28-26)27(35)33-13-10-19(11-14-33)25-29-22(17-37-25)24(34)30-23-16-21(31-32-23)18-7-4-3-5-8-18/h2-9,12,16-17,19H,1,10-11,13-15H2,(H2,30,31,32,34)