N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-2-(4-methoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-2-(4-methoxyphenyl)cinchoninamide Formula: C25H21N3O3S MolecularWeight: 443.51754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4SCC(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4SCC(=O)N

InChI

InChI=1S/C25H21N3O3S/c1-31-17-12-10-16(11-13-17)22-14-19(18-6-2-3-7-20(18)27-22)25(30)28-21-8-4-5-9-23(21)32-15-24(26)29/h2-14H,15H2,1H3,(H2,26,29)(H,28,30)