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

Systemtic Name: 2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-N-quinolin-8-yl-1,3-thiazole-4-carboxamide Openeye Name: 2-[1-(2-allylsulfanylpyridine-3-carbonyl)-4-piperidyl]-N-(8-quinolyl)thiazole-4-carboxamide CAS Name: 2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-N-(8-quinolinyl)-4-thiazolecarboxamide IUPAC Name: 2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-N-quinolin-8-yl-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-[2-(allylthio)nicotinoyl]-4-piperidyl]-N-(8-quinolyl)thiazole-4-carboxamide Formula: C27H25N5O2S2 MolecularWeight: 515.6497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C27H25N5O2S2/c1-2-16-35-26-20(8-5-13-29-26)27(34)32-14-10-19(11-15-32)25-31-22(17-36-25)24(33)30-21-9-3-6-18-7-4-12-28-23(18)21/h2-9,12-13,17,19H,1,10-11,14-16H2,(H,30,33)