3-(methylsulfanylmethyl)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide

Systemtic Name: 3-(methylsulfanylmethyl)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide Openeye Name: 3-(methylsulfanylmethyl)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide CAS Name: 3-[(methylthio)methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]-4-quinolinecarboxamide IUPAC Name: 3-(methylsulfanylmethyl)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide Traditional Name: 3-[(methylthio)methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]cinchoninamide Formula: C27H26N2OS MolecularWeight: 426.57314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CSC

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CSC

InChI

InChI=1S/C27H26N2OS/c1-3-23(19-12-6-4-7-13-19)29-27(30)25-21-16-10-11-17-24(21)28-26(22(25)18-31-2)20-14-8-5-9-15-20/h4-17,23H,3,18H2,1-2H3,(H,29,30)/t23-/m0/s1