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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(S1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC(=CC=C4)C)C(=O)N

Isomeric SMILES

CCCC1=CC(=C(S1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC(=CC=C4)C)C(=O)N

InChI

InChI=1S/C25H22BrN3O2S/c1-3-5-17-12-20(23(27)30)25(32-17)29-24(31)19-13-22(15-7-4-6-14(2)10-15)28-21-9-8-16(26)11-18(19)21/h4,6-13H,3,5H2,1-2H3,(H2,27,30)(H,29,31)