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

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbonyl)-N-[3-cyano-4-(thiophen-2-ylmethylamino)quinolin-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(1,3-benzodioxole-5-carbonyl)-N-[3-cyano-4-(2-thienylmethylamino)-2-quinolyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[1,3-benzodioxol-5-yl(oxo)methyl]-N-[3-cyano-4-(thiophen-2-ylmethylamino)-2-quinolinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(1,3-benzodioxole-5-carbonyl)-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]-N-piperonyloyl-piperonylamide Formula: C31H20N4O6S MolecularWeight: 576.5787

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)N(C3=NC4=CC=CC=C4C(=C3C#N)NCC5=CC=CS5)C(=O)C6=CC7=C(C=C6)OCO7

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)N(C3=NC4=CC=CC=C4C(=C3C#N)NCC5=CC=CS5)C(=O)C6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C31H20N4O6S/c32-14-22-28(33-15-20-4-3-11-42-20)21-5-1-2-6-23(21)34-29(22)35(30(36)18-7-9-24-26(12-18)40-16-38-24)31(37)19-8-10-25-27(13-19)41-17-39-25/h1-13H,15-17H2,(H,33,34)