N-butan-2-yl-2-(2-methylsulfanylphenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-butan-2-yl-2-(2-methylsulfanylphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: 2-(2-methylsulfanylphenyl)sulfanyl-N-sec-butyl-quinoline-4-carboxamide CAS Name: N-butan-2-yl-2-[[2-(methylthio)phenyl]thio]-4-quinolinecarboxamide IUPAC Name: N-butan-2-yl-2-(2-methylsulfanylphenyl)sulfanylquinoline-4-carboxamide Traditional Name: 2-[[2-(methylthio)phenyl]thio]-N-sec-butyl-cinchoninamide Formula: C21H22N2OS2 MolecularWeight: 382.54218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=CC=C3SC

Isomeric SMILES

CCC(C)NC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=CC=C3SC

InChI

InChI=1S/C21H22N2OS2/c1-4-14(2)22-21(24)16-13-20(23-17-10-6-5-9-15(16)17)26-19-12-8-7-11-18(19)25-3/h5-14H,4H2,1-3H3,(H,22,24)