N-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: 2-(4-isopropylphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide CAS Name: N-[(2-methoxyphenyl)methyl]-2-[(4-propan-2-ylphenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-o-anisyl-2-(p-cumenylthio)cinchoninamide Formula: C27H26N2O2S MolecularWeight: 442.57254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CC=C4OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CC=C4OC

InChI

InChI=1S/C27H26N2O2S/c1-18(2)19-12-14-21(15-13-19)32-26-16-23(22-9-5-6-10-24(22)29-26)27(30)28-17-20-8-4-7-11-25(20)31-3/h4-16,18H,17H2,1-3H3,(H,28,30)