N-[4-[4-(oxidanylcarbamoyl)phenyl]but-3-ynyl]-4-phenyl-1,3-thiazole-2-carboxamide

Systemtic Name: N-[4-[4-(oxidanylcarbamoyl)phenyl]but-3-ynyl]-4-phenyl-1,3-thiazole-2-carboxamide Openeye Name: N-[4-[4-(hydroxycarbamoyl)phenyl]but-3-ynyl]-4-phenyl-thiazole-2-carboxamide CAS Name: N-[4-[4-[(hydroxyamino)-oxomethyl]phenyl]but-3-ynyl]-4-phenyl-2-thiazolecarboxamide IUPAC Name: N-[4-[4-(hydroxycarbamoyl)phenyl]but-3-ynyl]-4-phenyl-1,3-thiazole-2-carboxamide Traditional Name: N-[4-[4-(hydroxycarbamoyl)phenyl]but-3-ynyl]-4-phenyl-thiazole-2-carboxamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=N2)C(=O)NCCC#CC3=CC=C(C=C3)C(=O)NO

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)C(=O)NCCC#CC3=CC=C(C=C3)C(=O)NO

InChI

InChI=1S/C21H17N3O3S/c25-19(24-27)17-11-9-15(10-12-17)6-4-5-13-22-20(26)21-23-18(14-28-21)16-7-2-1-3-8-16/h1-3,7-12,14,27H,5,13H2,(H,22,26)(H,24,25)