N-[1-[2-[4-(oxidanylcarbamoyl)phenyl]ethynyl]cyclopropyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[1-[2-[4-(oxidanylcarbamoyl)phenyl]ethynyl]cyclopropyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopropyl]benzothiophene-2-carboxamide CAS Name: N-[1-[2-[4-[(hydroxyamino)-oxomethyl]phenyl]ethynyl]cyclopropyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopropyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cyclopropyl]benzothiophene-2-carboxamide Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C#CC2=CC=C(C=C2)C(=O)NO)NC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CC1(C#CC2=CC=C(C=C2)C(=O)NO)NC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C21H16N2O3S/c24-19(23-26)15-7-5-14(6-8-15)9-10-21(11-12-21)22-20(25)18-13-16-3-1-2-4-17(16)27-18/h1-8,13,26H,11-12H2,(H,22,25)(H,23,24)