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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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