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

Systemtic Name: N-(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-(1H-benzimidazol-2-yl)thiazole-4-carboxamide CAS Name: N-(1H-benzimidazol-2-yl)-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(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-(1H-benzimidazol-2-yl)thiazole-4-carboxamide Formula: C25H24N6O2S2 MolecularWeight: 504.62706

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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=NC5=CC=CC=C5N4

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H24N6O2S2/c1-2-14-34-23-17(6-5-11-26-23)24(33)31-12-9-16(10-13-31)22-27-20(15-35-22)21(32)30-25-28-18-7-3-4-8-19(18)29-25/h2-8,11,15-16H,1,9-10,12-14H2,(H2,28,29,30,32)