N-(1,3-benzodioxol-5-yl)-2-[[3-(2-thiophen-2-ylethynyl)phenyl]amino]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(2-thiophen-2-ylethynyl)phenyl]amino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[3-[2-(2-thienyl)ethynyl]anilino]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[3-(2-thiophen-2-ylethynyl)anilino]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-(2-thiophen-2-ylethynyl)anilino]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[3-[2-(2-thienyl)ethynyl]anilino]acetamide Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CNC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CNC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

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