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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CS1)C2=C(C(=NC3=CC=CC=C32)NC(=O)C4=CC5=C(C=C4)OCO5)C#N

Isomeric SMILES

CN(C1=CC=CS1)C2=C(C(=NC3=CC=CC=C32)NC(=O)C4=CC5=C(C=C4)OCO5)C#N

InChI

InChI=1S/C23H16N4O3S/c1-27(20-7-4-10-31-20)21-15-5-2-3-6-17(15)25-22(16(21)12-24)26-23(28)14-8-9-18-19(11-14)30-13-29-18/h2-11H,13H2,1H3,(H,25,26,28)