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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O2S2/c1-3-17-34-25-22(11-8-14-28-25)26(32)31-15-12-21(13-16-31)24-29-23(19-35-24)27(33)30(4-2)18-20-9-6-5-7-10-20/h3,5-11,14,19,21H,1,4,12-13,15-18H2,2H3