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

Systemtic Name: N-[(3-chloranyl-4-methyl-phenyl)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-chloro-4-methyl-phenyl)methyl]thiazole-4-carboxamide CAS Name: N-[(3-chloro-4-methylphenyl)methyl]-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-[(3-chloro-4-methylphenyl)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-chloro-4-methyl-benzyl)thiazole-4-carboxamide Formula: C26H27ClN4O2S2 MolecularWeight: 527.10118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN4O2S2/c1-3-13-34-25-20(5-4-10-28-25)26(33)31-11-8-19(9-12-31)24-30-22(16-35-24)23(32)29-15-18-7-6-17(2)21(27)14-18/h3-7,10,14,16,19H,1,8-9,11-13,15H2,2H3,(H,29,32)