N-ethyl-2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide

Systemtic Name: N-ethyl-2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[1-(2-allylsulfanylpyridine-3-carbonyl)-4-piperidyl]-N-ethyl-N-[2-(2-pyridyl)ethyl]thiazole-4-carboxamide CAS Name: N-ethyl-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-N-[2-(2-pyridinyl)ethyl]-4-thiazolecarboxamide IUPAC Name: N-ethyl-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-[2-(allylthio)nicotinoyl]-4-piperidyl]-N-ethyl-N-[2-(2-pyridyl)ethyl]thiazole-4-carboxamide Formula: C27H31N5O2S2 MolecularWeight: 521.69734

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC1=CC=CC=N1)C(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C

Isomeric SMILES

CCN(CCC1=CC=CC=N1)C(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C

InChI

InChI=1S/C27H31N5O2S2/c1-3-18-35-25-22(9-7-14-29-25)26(33)32-15-10-20(11-16-32)24-30-23(19-36-24)27(34)31(4-2)17-12-21-8-5-6-13-28-21/h3,5-9,13-14,19-20H,1,4,10-12,15-18H2,2H3