2-(5-bromanylthiophen-2-yl)-N-[(4-ethoxy-3-methoxy-phenyl)methyl]quinoline-4-carboxamide

Systemtic Name: 2-(5-bromanylthiophen-2-yl)-N-[(4-ethoxy-3-methoxy-phenyl)methyl]quinoline-4-carboxamide Openeye Name: 2-(5-bromo-2-thienyl)-N-[(4-ethoxy-3-methoxy-phenyl)methyl]quinoline-4-carboxamide CAS Name: 2-(5-bromo-2-thiophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-quinolinecarboxamide IUPAC Name: 2-(5-bromothiophen-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinoline-4-carboxamide Traditional Name: 2-(5-bromo-2-thienyl)-N-(4-ethoxy-3-methoxy-benzyl)cinchoninamide Formula: C24H21BrN2O3S MolecularWeight: 497.40414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Br)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Br)OC

InChI

InChI=1S/C24H21BrN2O3S/c1-3-30-20-9-8-15(12-21(20)29-2)14-26-24(28)17-13-19(22-10-11-23(25)31-22)27-18-7-5-4-6-16(17)18/h4-13H,3,14H2,1-2H3,(H,26,28)