N-(3-aminocarbonyl-4-ethyl-5-methyl-thiophen-2-yl)-6-bromanyl-2-(4-methylphenyl)quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4-ethyl-5-methyl-thiophen-2-yl)-6-bromanyl-2-(4-methylphenyl)quinoline-4-carboxamide Openeye Name: 6-bromo-N-(3-carbamoyl-4-ethyl-5-methyl-2-thienyl)-2-(p-tolyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-(3-carbamoyl-4-ethyl-5-methyl-2-thiophenyl)-2-(4-methylphenyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-2-(4-methylphenyl)quinoline-4-carboxamide Traditional Name: 6-bromo-N-(3-carbamoyl-4-ethyl-5-methyl-2-thienyl)-2-(p-tolyl)cinchoninamide Formula: C25H22BrN3O2S MolecularWeight: 508.43008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)N)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)N)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C25H22BrN3O2S/c1-4-17-14(3)32-25(22(17)23(27)30)29-24(31)19-12-21(15-7-5-13(2)6-8-15)28-20-10-9-16(26)11-18(19)20/h5-12H,4H2,1-3H3,(H2,27,30)(H,29,31)