N5-[(3-cyano-4-pentoxy-phenyl)carbamothioyl]-N2,N2-dimethyl-pyridine-2,5-dicarboxamide

Systemtic Name: N5-[(3-cyano-4-pentoxy-phenyl)carbamothioyl]-N2,N2-dimethyl-pyridine-2,5-dicarboxamide Openeye Name: N5-[(3-cyano-4-pentoxy-phenyl)carbamothioyl]-N2,N2-dimethyl-pyridine-2,5-dicarboxamide CAS Name: N5-[(3-cyano-4-pentoxyanilino)-sulfanylidenemethyl]-N2,N2-dimethylpyridine-2,5-dicarboxamide IUPAC Name: 5-N-[(3-cyano-4-pentoxyphenyl)carbamothioyl]-2-N,2-N-dimethylpyridine-2,5-dicarboxamide Traditional Name: N'-[(4-amoxy-3-cyano-phenyl)thiocarbamoyl]-N,N-dimethyl-isocinchomeronamide Formula: C22H25N5O3S MolecularWeight: 439.5306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CN=C(C=C2)C(=O)N(C)C)C#N

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CN=C(C=C2)C(=O)N(C)C)C#N

InChI

InChI=1S/C22H25N5O3S/c1-4-5-6-11-30-19-10-8-17(12-16(19)13-23)25-22(31)26-20(28)15-7-9-18(24-14-15)21(29)27(2)3/h7-10,12,14H,4-6,11H2,1-3H3,(H2,25,26,28,31)