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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC#CC1=CC=C(C=C1)C(=O)NO)C(=O)C2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

CN(CC#CC1=CC=C(C=C1)C(=O)NO)C(=O)C2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C21H17N3O3S/c1-24(13-5-6-15-9-11-17(12-10-15)19(25)23-27)21(26)20-22-18(14-28-20)16-7-3-2-4-8-16/h2-4,7-12,14,27H,13H2,1H3,(H,23,25)