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

Systemtic Name: N-[1-(3-methoxyphenyl)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-methoxyphenyl)ethyl]thiazole-4-carboxamide CAS Name: N-[1-(3-methoxyphenyl)ethyl]-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-[1-(3-methoxyphenyl)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-methoxyphenyl)ethyl]thiazole-4-carboxamide Formula: C27H30N4O3S2 MolecularWeight: 522.6821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O3S2/c1-4-15-35-26-22(9-6-12-28-26)27(33)31-13-10-19(11-14-31)25-30-23(17-36-25)24(32)29-18(2)20-7-5-8-21(16-20)34-3/h4-9,12,16-19H,1,10-11,13-15H2,2-3H3,(H,29,32)