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

Systemtic Name: N-(3-chloranyl-4-methoxy-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-(3-chloro-4-methoxy-phenyl)thiazole-4-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-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-methoxy-phenyl)thiazole-4-carboxamide Formula: C25H25ClN4O3S2 MolecularWeight: 529.074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C)Cl

InChI

InChI=1S/C25H25ClN4O3S2/c1-3-13-34-24-18(5-4-10-27-24)25(32)30-11-8-16(9-12-30)23-29-20(15-35-23)22(31)28-17-6-7-21(33-2)19(26)14-17/h3-7,10,14-16H,1,8-9,11-13H2,2H3,(H,28,31)