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

Systemtic Name: 2-phenyl-N-[(1S)-1-phenylpropyl]-3-(propan-2-ylsulfanylmethyl)quinoline-4-carboxamide Openeye Name: 3-(isopropylsulfanylmethyl)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide CAS Name: 2-phenyl-N-[(1S)-1-phenylpropyl]-3-[(propan-2-ylthio)methyl]-4-quinolinecarboxamide IUPAC Name: 2-phenyl-N-[(1S)-1-phenylpropyl]-3-(propan-2-ylsulfanylmethyl)quinoline-4-carboxamide Traditional Name: 3-[(isopropylthio)methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]cinchoninamide Formula: C29H30N2OS MolecularWeight: 454.6263

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H30N2OS/c1-4-25(21-13-7-5-8-14-21)31-29(32)27-23-17-11-12-18-26(23)30-28(22-15-9-6-10-16-22)24(27)19-33-20(2)3/h5-18,20,25H,4,19H2,1-3H3,(H,31,32)/t25-/m0/s1