N-[2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[2-oxo-2-[(1,3,5-trimethyl-4-pyrazolyl)amino]ethyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[2-keto-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-2-(2-thienyl)cinchoninamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C22H21N5O2S/c1-13-21(14(2)27(3)26-13)25-20(28)12-23-22(29)16-11-18(19-9-6-10-30-19)24-17-8-5-4-7-15(16)17/h4-11H,12H2,1-3H3,(H,23,29)(H,25,28)