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

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-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-(1H-benzimidazol-2-ylmethyl)thiazole-4-carboxamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-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-(1H-benzimidazol-2-ylmethyl)thiazole-4-carboxamide Formula: C26H26N6O2S2 MolecularWeight: 518.65364

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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)NCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C26H26N6O2S2/c1-2-14-35-25-18(6-5-11-27-25)26(34)32-12-9-17(10-13-32)24-31-21(16-36-24)23(33)28-15-22-29-19-7-3-4-8-20(19)30-22/h2-8,11,16-17H,1,9-10,12-15H2,(H,28,33)(H,29,30)