N-(2-cyano-1-phenyl-ethyl)-3-(2-methylsulfinylethyl)-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-(2-cyano-1-phenyl-ethyl)-3-(2-methylsulfinylethyl)-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(2-cyano-1-phenyl-ethyl)-3-(2-methylsulfinylethyl)-2-phenyl-quinoline-4-carboxamide CAS Name: N-(2-cyano-1-phenylethyl)-3-(2-methylsulfinylethyl)-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(2-cyano-1-phenylethyl)-3-(2-methylsulfinylethyl)-2-phenylquinoline-4-carboxamide Traditional Name: N-(2-cyano-1-phenyl-ethyl)-3-(2-methylsulfinylethyl)-2-phenyl-cinchoninamide Formula: C28H25N3O2S MolecularWeight: 467.582

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CCC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC(CC#N)C4=CC=CC=C4

Isomeric SMILES

CS(=O)CCC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC(CC#N)C4=CC=CC=C4

InChI

InChI=1S/C28H25N3O2S/c1-34(33)19-17-23-26(28(32)31-24(16-18-29)20-10-4-2-5-11-20)22-14-8-9-15-25(22)30-27(23)21-12-6-3-7-13-21/h2-15,24H,16-17,19H2,1H3,(H,31,32)