N-[3-cyano-4-(thiophen-2-ylmethylamino)quinolin-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-cyano-4-(thiophen-2-ylmethylamino)quinolin-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-cyano-4-(2-thienylmethylamino)-2-quinolyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-cyano-4-(thiophen-2-ylmethylamino)-2-quinolinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-cyano-4-(thiophen-2-ylmethylamino)quinolin-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-cyano-4-(2-thenylamino)-2-quinolyl]-piperonylamide Formula: C23H16N4O3S MolecularWeight: 428.46314

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NC4=CC=CC=C4C(=C3C#N)NCC5=CC=CS5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NC4=CC=CC=C4C(=C3C#N)NCC5=CC=CS5

InChI

InChI=1S/C23H16N4O3S/c24-11-17-21(25-12-15-4-3-9-31-15)16-5-1-2-6-18(16)26-22(17)27-23(28)14-7-8-19-20(10-14)30-13-29-19/h1-10H,12-13H2,(H2,25,26,27,28)