2-(5-bromanylthiophen-2-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]quinoline-4-carboxamide

Systemtic Name: 2-(5-bromanylthiophen-2-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]quinoline-4-carboxamide Openeye Name: 2-(5-bromo-2-thienyl)-N-[2-(3,4-diethoxyphenyl)ethyl]quinoline-4-carboxamide CAS Name: 2-(5-bromo-2-thiophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-4-quinolinecarboxamide IUPAC Name: 2-(5-bromothiophen-2-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]quinoline-4-carboxamide Traditional Name: 2-(5-bromo-2-thienyl)-N-[2-(3,4-diethoxyphenyl)ethyl]cinchoninamide Formula: C26H25BrN2O3S MolecularWeight: 525.4573

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Br)OCC

InChI

InChI=1S/C26H25BrN2O3S/c1-3-31-22-10-9-17(15-23(22)32-4-2)13-14-28-26(30)19-16-21(24-11-12-25(27)33-24)29-20-8-6-5-7-18(19)20/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,28,30)