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

Systemtic Name: N-(1-ethynylcyclohexyl)-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-(1-ethynylcyclohexyl)thiazole-4-carboxamide CAS Name: N-(1-ethynylcyclohexyl)-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(1-ethynylcyclohexyl)-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-(1-ethynylcyclohexyl)thiazole-4-carboxamide Formula: C26H30N4O2S2 MolecularWeight: 494.672

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NC4(CCCCC4)C#C

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NC4(CCCCC4)C#C

InChI

InChI=1S/C26H30N4O2S2/c1-3-17-33-24-20(9-8-14-27-24)25(32)30-15-10-19(11-16-30)23-28-21(18-34-23)22(31)29-26(4-2)12-6-5-7-13-26/h2-3,8-9,14,18-19H,1,5-7,10-13,15-17H2,(H,29,31)