N-cyclopropyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[(2-methoxy-5-nitrophenyl)methylthio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]quinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[(2-methoxy-5-nitro-benzyl)thio]cinchoninamide Formula: C21H19N3O4S MolecularWeight: 409.45826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C21H19N3O4S/c1-28-19-9-8-15(24(26)27)10-13(19)12-29-20-11-17(21(25)22-14-6-7-14)16-4-2-3-5-18(16)23-20/h2-5,8-11,14H,6-7,12H2,1H3,(H,22,25)