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

Systemtic Name: N-(2-cyanoethyl)-2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[1-(2-allylsulfanylpyridine-3-carbonyl)-4-piperidyl]-N-(2-cyanoethyl)-N-(3-pyridylmethyl)thiazole-4-carboxamide CAS Name: N-(2-cyanoethyl)-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-N-(3-pyridinylmethyl)-4-thiazolecarboxamide IUPAC Name: N-(2-cyanoethyl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-[2-(allylthio)nicotinoyl]-4-piperidyl]-N-(2-cyanoethyl)-N-(3-pyridylmethyl)thiazole-4-carboxamide Formula: C27H28N6O2S2 MolecularWeight: 532.68022

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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)N(CCC#N)CC4=CN=CC=C4

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)N(CCC#N)CC4=CN=CC=C4

InChI

InChI=1S/C27H28N6O2S2/c1-2-16-36-25-22(7-4-12-30-25)26(34)32-14-8-21(9-15-32)24-31-23(19-37-24)27(35)33(13-5-10-28)18-20-6-3-11-29-17-20/h2-4,6-7,11-12,17,19,21H,1,5,8-9,13-16,18H2