N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(5,6-dimethyl-1H-benzimidazol-2-yl)-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-(5,6-dimethyl-1H-benzimidazol-2-yl)thiazole-4-carboxamide CAS Name: N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(5,6-dimethyl-1H-benzimidazol-2-yl)-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-(5,6-dimethyl-1H-benzimidazol-2-yl)thiazole-4-carboxamide Formula: C27H28N6O2S2 MolecularWeight: 532.68022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)NC(=O)C3=CSC(=N3)C4CCN(CC4)C(=O)C5=C(N=CC=C5)SCC=C

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)NC(=O)C3=CSC(=N3)C4CCN(CC4)C(=O)C5=C(N=CC=C5)SCC=C

InChI

InChI=1S/C27H28N6O2S2/c1-4-12-36-25-19(6-5-9-28-25)26(35)33-10-7-18(8-11-33)24-29-22(15-37-24)23(34)32-27-30-20-13-16(2)17(3)14-21(20)31-27/h4-6,9,13-15,18H,1,7-8,10-12H2,2-3H3,(H2,30,31,32,34)