N-(8-oxidanylquinolin-5-yl)-2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(8-oxidanylquinolin-5-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-(8-hydroxy-5-quinolyl)thiazole-4-carboxamide CAS Name: N-(8-hydroxy-5-quinolinyl)-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(8-hydroxyquinolin-5-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-(8-hydroxy-5-quinolyl)thiazole-4-carboxamide Formula: C27H25N5O3S2 MolecularWeight: 531.6491

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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=C5C=CC=NC5=C(C=C4)O

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NC4=C5C=CC=NC5=C(C=C4)O

InChI

InChI=1S/C27H25N5O3S2/c1-2-15-36-26-19(6-4-12-29-26)27(35)32-13-9-17(10-14-32)25-31-21(16-37-25)24(34)30-20-7-8-22(33)23-18(20)5-3-11-28-23/h2-8,11-12,16-17,33H,1,9-10,13-15H2,(H,30,34)