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

Systemtic Name: N-(2-cyano-1-phenyl-ethyl)-3-(methylsulfanylmethyl)-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(2-cyano-1-phenyl-ethyl)-3-(methylsulfanylmethyl)-2-phenyl-quinoline-4-carboxamide CAS Name: N-(2-cyano-1-phenylethyl)-3-[(methylthio)methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(2-cyano-1-phenylethyl)-3-(methylsulfanylmethyl)-2-phenylquinoline-4-carboxamide Traditional Name: N-(2-cyano-1-phenyl-ethyl)-3-[(methylthio)methyl]-2-phenyl-cinchoninamide Formula: C27H23N3OS MolecularWeight: 437.55602

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC(CC#N)C4=CC=CC=C4

Isomeric SMILES

CSCC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC(CC#N)C4=CC=CC=C4

InChI

InChI=1S/C27H23N3OS/c1-32-18-22-25(27(31)30-23(16-17-28)19-10-4-2-5-11-19)21-14-8-9-15-24(21)29-26(22)20-12-6-3-7-13-20/h2-15,23H,16,18H2,1H3,(H,30,31)