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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carboxamide Formula: C25H20N4O2S2 MolecularWeight: 472.5819

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=CS2)C(=O)NC3=NC4=CC=CC=C4S3)C(=O)C#CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C(=O)NC3=NC4=CC=CC=C4S3)C(=O)C#CC5=CC=CC=C5

InChI

InChI=1S/C25H20N4O2S2/c30-22(11-10-17-6-2-1-3-7-17)29-14-12-18(13-15-29)24-26-20(16-32-24)23(31)28-25-27-19-8-4-5-9-21(19)33-25/h1-9,16,18H,12-15H2,(H,27,28,31)