N-(2-methylquinolin-6-yl)-2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(2-methylquinolin-6-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-methyl-6-quinolyl)thiazole-4-carboxamide CAS Name: N-(2-methyl-6-quinolinyl)-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(2-methylquinolin-6-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-methyl-6-quinolyl)thiazole-4-carboxamide Formula: C28H27N5O2S2 MolecularWeight: 529.67628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=C(C=C2)NC(=O)C3=CSC(=N3)C4CCN(CC4)C(=O)C5=C(N=CC=C5)SCC=C

Isomeric SMILES

CC1=NC2=C(C=C1)C=C(C=C2)NC(=O)C3=CSC(=N3)C4CCN(CC4)C(=O)C5=C(N=CC=C5)SCC=C

InChI

InChI=1S/C28H27N5O2S2/c1-3-15-36-27-22(5-4-12-29-27)28(35)33-13-10-19(11-14-33)26-32-24(17-37-26)25(34)31-21-8-9-23-20(16-21)7-6-18(2)30-23/h3-9,12,16-17,19H,1,10-11,13-15H2,2H3,(H,31,34)