N-(5-nitro-1,3-thiazol-2-yl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(5-nitro-1,3-thiazol-2-yl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-(5-nitrothiazol-2-yl)-2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-(5-nitro-2-thiazolyl)-2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(5-nitro-1,3-thiazol-2-yl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-(5-nitrothiazol-2-yl)-2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carboxamide Formula: C21H17N5O4S2 MolecularWeight: 467.52078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=CS2)C(=O)NC3=NC=C(S3)[N+](=O)[O-])C(=O)C#CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C(=O)NC3=NC=C(S3)[N+](=O)[O-])C(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C21H17N5O4S2/c27-17(7-6-14-4-2-1-3-5-14)25-10-8-15(9-11-25)20-23-16(13-31-20)19(28)24-21-22-12-18(32-21)26(29)30/h1-5,12-13,15H,8-11H2,(H,22,24,28)