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

Systemtic Name: N-[(3,5-dimethylphenyl)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-dimethylphenyl)methyl]thiazole-4-carboxamide CAS Name: N-[(3,5-dimethylphenyl)methyl]-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-[(3,5-dimethylphenyl)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-dimethylbenzyl)thiazole-4-carboxamide Formula: C27H30N4O2S2 MolecularWeight: 506.6827

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CNC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C)C

Isomeric SMILES

CC1=CC(=CC(=C1)CNC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C)C

InChI

InChI=1S/C27H30N4O2S2/c1-4-12-34-26-22(6-5-9-28-26)27(33)31-10-7-21(8-11-31)25-30-23(17-35-25)24(32)29-16-20-14-18(2)13-19(3)15-20/h4-6,9,13-15,17,21H,1,7-8,10-12,16H2,2-3H3,(H,29,32)