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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-N-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-(1,3-benzodioxol-5-yl)-N-ethyl-thiazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-N-ethyl-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-N-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-(1,3-benzodioxol-5-yl)-N-ethyl-thiazole-4-carboxamide Formula: C27H28N4O4S2 MolecularWeight: 536.66562

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)OCO2)C(=O)C3=CSC(=N3)C4CCN(CC4)C(=O)C5=C(N=CC=C5)SCC=C

Isomeric SMILES

CCN(C1=CC2=C(C=C1)OCO2)C(=O)C3=CSC(=N3)C4CCN(CC4)C(=O)C5=C(N=CC=C5)SCC=C

InChI

InChI=1S/C27H28N4O4S2/c1-3-14-36-25-20(6-5-11-28-25)26(32)30-12-9-18(10-13-30)24-29-21(16-37-24)27(33)31(4-2)19-7-8-22-23(15-19)35-17-34-22/h3,5-8,11,15-16,18H,1,4,9-10,12-14,17H2,2H3