2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-methoxyphenyl)quinoline-4-carboxamide

Systemtic Name: 2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-methoxyphenyl)quinoline-4-carboxamide Openeye Name: 2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanyl-N-(2-methoxyphenyl)quinoline-4-carboxamide CAS Name: 2-[[2-(cyclopropylamino)-2-oxoethyl]thio]-N-(2-methoxyphenyl)-4-quinolinecarboxamide IUPAC Name: 2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)quinoline-4-carboxamide Traditional Name: 2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]-N-(2-methoxyphenyl)cinchoninamide Formula: C22H21N3O3S MolecularWeight: 407.48544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)NC4CC4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)NC4CC4

InChI

InChI=1S/C22H21N3O3S/c1-28-19-9-5-4-8-18(19)25-22(27)16-12-21(24-17-7-3-2-6-15(16)17)29-13-20(26)23-14-10-11-14/h2-9,12,14H,10-11,13H2,1H3,(H,23,26)(H,25,27)