N-[(3-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-[(3-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: 2-(4-isopropylphenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide CAS Name: N-[(3-methoxyphenyl)methyl]-2-[(4-propan-2-ylphenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-m-anisyl-2-(p-cumenylthio)cinchoninamide Formula: C27H26N2O2S MolecularWeight: 442.57254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC(=CC=C4)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC(=CC=C4)OC

InChI

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