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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C)OC)OC

InChI

InChI=1S/C27H30N4O4S2/c1-5-13-36-26-19(7-6-10-28-26)27(33)31-11-8-18(9-12-31)25-30-21(16-37-25)24(32)29-20-15-23(35-4)22(34-3)14-17(20)2/h5-7,10,14-16,18H,1,8-9,11-13H2,2-4H3,(H,29,32)