2-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C22H19BrN2O3S MolecularWeight: 471.36686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)Br

InChI

InChI=1S/C22H19BrN2O3S/c1-28-20-9-6-13(10-17(20)23)19(26)12-29-21-11-16(22(27)24-14-7-8-14)15-4-2-3-5-18(15)25-21/h2-6,9-11,14H,7-8,12H2,1H3,(H,24,27)