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

Systemtic Name: N-(2-azanylethyl)-2-(5-bromanyl-1H-indol-3-yl)-6-(3-thiomorpholin-4-ylprop-1-ynyl)quinoline-4-carboxamide Openeye Name: N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-6-(3-thiomorpholinoprop-1-ynyl)quinoline-4-carboxamide CAS Name: N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-6-(3-thiomorpholin-4-ylprop-1-ynyl)-4-quinolinecarboxamide IUPAC Name: N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-6-(3-thiomorpholin-4-ylprop-1-ynyl)quinoline-4-carboxamide Traditional Name: N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-6-(3-thiomorpholinoprop-1-ynyl)cinchoninamide Formula: C27H26BrN5OS MolecularWeight: 548.49724

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1CC#CC2=CC3=C(C=C2)N=C(C=C3C(=O)NCCN)C4=CNC5=C4C=C(C=C5)Br

Isomeric SMILES

C1CSCCN1CC#CC2=CC3=C(C=C2)N=C(C=C3C(=O)NCCN)C4=CNC5=C4C=C(C=C5)Br

InChI

InChI=1S/C27H26BrN5OS/c28-19-4-6-24-21(15-19)23(17-31-24)26-16-22(27(34)30-8-7-29)20-14-18(3-5-25(20)32-26)2-1-9-33-10-12-35-13-11-33/h3-6,14-17,31H,7-13,29H2,(H,30,34)