N-[3-cyano-6-formamido-4-(thiophen-2-ylmethylamino)quinolin-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-cyano-6-formamido-4-(thiophen-2-ylmethylamino)quinolin-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-cyano-6-formamido-4-(2-thienylmethylamino)-2-quinolyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-cyano-6-formamido-4-(thiophen-2-ylmethylamino)-2-quinolinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-cyano-6-formamido-4-(thiophen-2-ylmethylamino)quinolin-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-cyano-6-formamido-4-(2-thenylamino)-2-quinolyl]-piperonylamide Formula: C24H17N5O4S MolecularWeight: 471.48788

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NC4=C(C=C(C=C4)NC=O)C(=C3C#N)NCC5=CC=CS5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NC4=C(C=C(C=C4)NC=O)C(=C3C#N)NCC5=CC=CS5

InChI

InChI=1S/C24H17N5O4S/c25-10-18-22(26-11-16-2-1-7-34-16)17-9-15(27-12-30)4-5-19(17)28-23(18)29-24(31)14-3-6-20-21(8-14)33-13-32-20/h1-9,12H,11,13H2,(H,27,30)(H2,26,28,29,31)