N-(4-bromanyl-2,5-dimethyl-phenyl)-6,8-dimethyl-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(4-bromanyl-2,5-dimethyl-phenyl)-6,8-dimethyl-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(4-bromo-2,5-dimethyl-phenyl)-6,8-dimethyl-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(4-bromo-2,5-dimethylphenyl)-6,8-dimethyl-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(4-bromo-2,5-dimethylphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(4-bromo-2,5-dimethyl-phenyl)-6,8-dimethyl-2-(2-thienyl)cinchoninamide Formula: C24H21BrN2OS MolecularWeight: 465.40534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=C(C=C(C(=C4)C)Br)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=C(C=C(C(=C4)C)Br)C)C

InChI

InChI=1S/C24H21BrN2OS/c1-13-8-16(4)23-17(9-13)18(12-21(26-23)22-6-5-7-29-22)24(28)27-20-11-14(2)19(25)10-15(20)3/h5-12H,1-4H3,(H,27,28)