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

Systemtic Name: N-[(4-fluorophenyl)methyl]-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-[(4-fluorophenyl)methyl]thiazole-4-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-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-(4-fluorobenzyl)thiazole-4-carboxamide Formula: C25H25FN4O2S2 MolecularWeight: 496.620003

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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=CC=C(C=C4)F

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C25H25FN4O2S2/c1-2-14-33-24-20(4-3-11-27-24)25(32)30-12-9-18(10-13-30)23-29-21(16-34-23)22(31)28-15-17-5-7-19(26)8-6-17/h2-8,11,16,18H,1,9-10,12-15H2,(H,28,31)