N-(5-aminocarbonyl-1H-imidazol-4-yl)-2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(5-aminocarbonyl-1H-imidazol-4-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-carbamoyl-1H-imidazol-4-yl)thiazole-4-carboxamide CAS Name: N-(5-carbamoyl-1H-imidazol-4-yl)-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(5-carbamoyl-1H-imidazol-4-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-carbamoyl-1H-imidazol-4-yl)thiazole-4-carboxamide Formula: C22H23N7O3S2 MolecularWeight: 497.59312

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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=C(NC=N4)C(=O)N

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NC4=C(NC=N4)C(=O)N

InChI

InChI=1S/C22H23N7O3S2/c1-2-10-33-21-14(4-3-7-24-21)22(32)29-8-5-13(6-9-29)20-27-15(11-34-20)19(31)28-18-16(17(23)30)25-12-26-18/h2-4,7,11-13H,1,5-6,8-10H2,(H2,23,30)(H,25,26)(H,28,31)