N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-oxo-3-phenylprop-2-ynyl)amino]-3-thiophenecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxamide Traditional Name: 2-[(3-phenylpropioloyl)amino]-N-piperonyl-thiophene-3-carboxamide Formula: C22H16N2O4S MolecularWeight: 404.43844

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(SC=C3)NC(=O)C#CC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(SC=C3)NC(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C22H16N2O4S/c25-20(9-7-15-4-2-1-3-5-15)24-22-17(10-11-29-22)21(26)23-13-16-6-8-18-19(12-16)28-14-27-18/h1-6,8,10-12H,13-14H2,(H,23,26)(H,24,25)