N-(1-phenylethyl)-2-(4-propan-2-ylphenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-(1-phenylethyl)-2-(4-propan-2-ylphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: 2-(4-isopropylphenyl)sulfanyl-N-(1-phenylethyl)quinoline-4-carboxamide CAS Name: N-(1-phenylethyl)-2-[(4-propan-2-ylphenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-(1-phenylethyl)-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide Traditional Name: 2-(p-cumenylthio)-N-(1-phenylethyl)cinchoninamide Formula: C27H26N2OS MolecularWeight: 426.57314

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)NC(C)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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