N-(1-cyclohexylethyl)-3-[[4-(methylcarbamothioyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-(1-cyclohexylethyl)-3-[[4-(methylcarbamothioyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(1-cyclohexylethyl)-3-[[4-(methylcarbamothioyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-(1-cyclohexylethyl)-3-[[4-[methylamino(sulfanylidene)methyl]-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(1-cyclohexylethyl)-3-[[4-(methylcarbamothioyl)piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-(1-cyclohexylethyl)-3-[[4-(methylthiocarbamoyl)piperazino]methyl]-2-phenyl-cinchoninamide Formula: C31H39N5OS MolecularWeight: 529.73926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)C(=S)NC

Isomeric SMILES

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)C(=S)NC

InChI

InChI=1S/C31H39N5OS/c1-22(23-11-5-3-6-12-23)33-30(37)28-25-15-9-10-16-27(25)34-29(24-13-7-4-8-14-24)26(28)21-35-17-19-36(20-18-35)31(38)32-2/h4,7-10,13-16,22-23H,3,5-6,11-12,17-21H2,1-2H3,(H,32,38)(H,33,37)