N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[4-(4-acetamido-2-fluorophenyl)-2-thiazolyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C26H25FN4O3S MolecularWeight: 492.565103

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4)F

InChI

InChI=1S/C26H25FN4O3S/c1-17(32)28-20-8-9-21(22(27)15-20)23-16-35-26(29-23)30-25(34)19-11-13-31(14-12-19)24(33)10-7-18-5-3-2-4-6-18/h2-10,15-16,19H,11-14H2,1H3,(H,28,32)(H,29,30,34)/b10-7+