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

Systemtic Name: N-(3-imidazol-1-ylpropyl)-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-imidazol-1-ylpropyl)thiazole-4-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-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-imidazol-1-ylpropyl)thiazole-4-carboxamide Formula: C24H28N6O2S2 MolecularWeight: 496.64812

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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)NCCCN4C=CN=C4

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C24H28N6O2S2/c1-2-15-33-23-19(5-3-8-27-23)24(32)30-12-6-18(7-13-30)22-28-20(16-34-22)21(31)26-9-4-11-29-14-10-25-17-29/h2-3,5,8,10,14,16-18H,1,4,6-7,9,11-13,15H2,(H,26,31)