N-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carboxamide Formula: C25H19FN4O2S2 MolecularWeight: 490.572363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=CS2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F)C(=O)C#CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F)C(=O)C#CC5=CC=CC=C5

InChI

InChI=1S/C25H19FN4O2S2/c26-18-7-8-19-21(14-18)34-25(28-19)29-23(32)20-15-33-24(27-20)17-10-12-30(13-11-17)22(31)9-6-16-4-2-1-3-5-16/h1-5,7-8,14-15,17H,10-13H2,(H,28,29,32)