N-[3-(3-thiophen-2-ylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-(3-thiophen-2-ylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[3-(2-thienyl)propanoylamino]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[(1-oxo-3-thiophen-2-ylpropyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-(3-thiophen-2-ylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[3-(2-thienyl)propanoylamino]phenyl]-piperonylamide Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC(=CC=C3)NC(=O)CCC4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC(=CC=C3)NC(=O)CCC4=CC=CS4

InChI

InChI=1S/C21H18N2O4S/c24-20(9-7-17-5-2-10-28-17)22-15-3-1-4-16(12-15)23-21(25)14-6-8-18-19(11-14)27-13-26-18/h1-6,8,10-12H,7,9,13H2,(H,22,24)(H,23,25)