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

Systemtic Name: 2-phenyl-N-[(1S)-1-phenylpropyl]-3-(pyridin-4-ylsulfanylmethyl)quinoline-4-carboxamide Openeye Name: 2-phenyl-N-[(1S)-1-phenylpropyl]-3-(4-pyridylsulfanylmethyl)quinoline-4-carboxamide CAS Name: 2-phenyl-N-[(1S)-1-phenylpropyl]-3-[(pyridin-4-ylthio)methyl]-4-quinolinecarboxamide IUPAC Name: 2-phenyl-N-[(1S)-1-phenylpropyl]-3-(pyridin-4-ylsulfanylmethyl)quinoline-4-carboxamide Traditional Name: 2-phenyl-N-[(1S)-1-phenylpropyl]-3-[(4-pyridylthio)methyl]cinchoninamide Formula: C31H27N3OS MolecularWeight: 489.63058

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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)CSC5=CC=NC=C5

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CSC5=CC=NC=C5

InChI

InChI=1S/C31H27N3OS/c1-2-27(22-11-5-3-6-12-22)34-31(35)29-25-15-9-10-16-28(25)33-30(23-13-7-4-8-14-23)26(29)21-36-24-17-19-32-20-18-24/h3-20,27H,2,21H2,1H3,(H,34,35)/t27-/m0/s1