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

Systemtic Name: N-[2-(2-ethoxyphenyl)ethyl]-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-(2-ethoxyphenyl)ethyl]thiazole-4-carboxamide CAS Name: N-[2-(2-ethoxyphenyl)ethyl]-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-[2-(2-ethoxyphenyl)ethyl]-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-o-phenetylethyl)thiazole-4-carboxamide Formula: C28H32N4O3S2 MolecularWeight: 536.70868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCNC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C

Isomeric SMILES

CCOC1=CC=CC=C1CCNC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C

InChI

InChI=1S/C28H32N4O3S2/c1-3-18-36-27-22(9-7-14-30-27)28(34)32-16-12-21(13-17-32)26-31-23(19-37-26)25(33)29-15-11-20-8-5-6-10-24(20)35-4-2/h3,5-10,14,19,21H,1,4,11-13,15-18H2,2H3,(H,29,33)