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

Systemtic Name: N-[(4-methylsulfonylphenyl)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-[(4-methylsulfonylphenyl)methyl]thiazole-4-carboxamide CAS Name: N-[(4-methylsulfonylphenyl)methyl]-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-[(4-methylsulfonylphenyl)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-(4-mesylbenzyl)thiazole-4-carboxamide Formula: C26H28N4O4S3 MolecularWeight: 556.71992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O4S3/c1-3-15-35-25-21(5-4-12-27-25)26(32)30-13-10-19(11-14-30)24-29-22(17-36-24)23(31)28-16-18-6-8-20(9-7-18)37(2,33)34/h3-9,12,17,19H,1,10-11,13-16H2,2H3,(H,28,31)