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

Systemtic Name: N-[3-[4-(oxidanylcarbamoyl)phenyl]prop-2-ynyl]-1,3-benzothiazole-2-carboxamide Openeye Name: N-[3-[4-(hydroxycarbamoyl)phenyl]prop-2-ynyl]-1,3-benzothiazole-2-carboxamide CAS Name: N-[3-[4-[(hydroxyamino)-oxomethyl]phenyl]prop-2-ynyl]-1,3-benzothiazole-2-carboxamide IUPAC Name: N-[3-[4-(hydroxycarbamoyl)phenyl]prop-2-ynyl]-1,3-benzothiazole-2-carboxamide Traditional Name: N-[3-[4-(hydroxycarbamoyl)phenyl]prop-2-ynyl]-1,3-benzothiazole-2-carboxamide Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=O)NCC#CC3=CC=C(C=C3)C(=O)NO

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(=O)NCC#CC3=CC=C(C=C3)C(=O)NO

InChI

InChI=1S/C18H13N3O3S/c22-16(21-24)13-9-7-12(8-10-13)4-3-11-19-17(23)18-20-14-5-1-2-6-15(14)25-18/h1-2,5-10,24H,11H2,(H,19,23)(H,21,22)