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

Systemtic Name: N-[(3,5-dimethoxyphenyl)methyl]-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-[(3,5-dimethoxyphenyl)methyl]thiazole-4-carboxamide CAS Name: N-[(3,5-dimethoxyphenyl)methyl]-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-[(3,5-dimethoxyphenyl)methyl]-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-(3,5-dimethoxybenzyl)thiazole-4-carboxamide Formula: C27H30N4O4S2 MolecularWeight: 538.6815

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CNC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CNC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C)OC

InChI

InChI=1S/C27H30N4O4S2/c1-4-12-36-26-22(6-5-9-28-26)27(33)31-10-7-19(8-11-31)25-30-23(17-37-25)24(32)29-16-18-13-20(34-2)15-21(14-18)35-3/h4-6,9,13-15,17,19H,1,7-8,10-12,16H2,2-3H3,(H,29,32)