N-(5-nitro-1,3-thiazol-2-yl)-2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(5-nitro-1,3-thiazol-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-nitrothiazol-2-yl)thiazole-4-carboxamide CAS Name: N-(5-nitro-2-thiazolyl)-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(5-nitro-1,3-thiazol-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-nitrothiazol-2-yl)thiazole-4-carboxamide Formula: C21H20N6O4S3 MolecularWeight: 516.6163

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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=NC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NC4=NC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O4S3/c1-2-10-32-19-14(4-3-7-22-19)20(29)26-8-5-13(6-9-26)18-24-15(12-33-18)17(28)25-21-23-11-16(34-21)27(30)31/h2-4,7,11-13H,1,5-6,8-10H2,(H,23,25,28)