N-(2-azanylethyl)-2-(5-bromanyl-1H-indol-3-yl)-7-chloranyl-6-(3-thiomorpholin-4-ylprop-1-ynyl)quinoline-4-carboxamide

Systemtic Name: N-(2-azanylethyl)-2-(5-bromanyl-1H-indol-3-yl)-7-chloranyl-6-(3-thiomorpholin-4-ylprop-1-ynyl)quinoline-4-carboxamide Openeye Name: N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-7-chloro-6-(3-thiomorpholinoprop-1-ynyl)quinoline-4-carboxamide CAS Name: N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-7-chloro-6-(3-thiomorpholin-4-ylprop-1-ynyl)-4-quinolinecarboxamide IUPAC Name: N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-7-chloro-6-(3-thiomorpholin-4-ylprop-1-ynyl)quinoline-4-carboxamide Traditional Name: N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-7-chloro-6-(3-thiomorpholinoprop-1-ynyl)cinchoninamide Formula: C27H25BrClN5OS MolecularWeight: 582.9423

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1CC#CC2=CC3=C(C=C2Cl)N=C(C=C3C(=O)NCCN)C4=CNC5=C4C=C(C=C5)Br

Isomeric SMILES

C1CSCCN1CC#CC2=CC3=C(C=C2Cl)N=C(C=C3C(=O)NCCN)C4=CNC5=C4C=C(C=C5)Br

InChI

InChI=1S/C27H25BrClN5OS/c28-18-3-4-24-20(13-18)22(16-32-24)25-14-21(27(35)31-6-5-30)19-12-17(23(29)15-26(19)33-25)2-1-7-34-8-10-36-11-9-34/h3-4,12-16,32H,5-11,30H2,(H,31,35)