N-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-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-(6-fluoro-1,3-benzothiazol-2-yl)thiazole-4-carboxamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-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-(6-fluoro-1,3-benzothiazol-2-yl)thiazole-4-carboxamide Formula: C25H22FN5O2S3 MolecularWeight: 539.667883

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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=C(S4)C=C(C=C5)F

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NC4=NC5=C(S4)C=C(C=C5)F

InChI

InChI=1S/C25H22FN5O2S3/c1-2-12-34-23-17(4-3-9-27-23)24(33)31-10-7-15(8-11-31)22-28-19(14-35-22)21(32)30-25-29-18-6-5-16(26)13-20(18)36-25/h2-6,9,13-15H,1,7-8,10-12H2,(H,29,30,32)