N-[2-methyl-4-[4-(oxidanylcarbamoyl)phenyl]but-3-yn-2-yl]-1,3-benzothiazole-2-carboxamide

Systemtic Name: N-[2-methyl-4-[4-(oxidanylcarbamoyl)phenyl]but-3-yn-2-yl]-1,3-benzothiazole-2-carboxamide Openeye Name: N-[3-[4-(hydroxycarbamoyl)phenyl]-1,1-dimethyl-prop-2-ynyl]-1,3-benzothiazole-2-carboxamide CAS Name: N-[4-[4-[(hydroxyamino)-oxomethyl]phenyl]-2-methylbut-3-yn-2-yl]-1,3-benzothiazole-2-carboxamide IUPAC Name: N-[4-[4-(hydroxycarbamoyl)phenyl]-2-methylbut-3-yn-2-yl]-1,3-benzothiazole-2-carboxamide Traditional Name: N-[3-[4-(hydroxycarbamoyl)phenyl]-1,1-dimethyl-prop-2-ynyl]-1,3-benzothiazole-2-carboxamide Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C(=O)NO)NC(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C(=O)NO)NC(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H17N3O3S/c1-20(2,12-11-13-7-9-14(10-8-13)17(24)23-26)22-18(25)19-21-15-5-3-4-6-16(15)27-19/h3-10,26H,1-2H3,(H,22,25)(H,23,24)