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

Systemtic Name: N-(4-bromanyl-2,5-dimethoxy-phenyl)-6,8-dimethyl-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(4-bromo-2,5-dimethoxy-phenyl)-6,8-dimethyl-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(4-bromo-2,5-dimethoxyphenyl)-6,8-dimethyl-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(4-bromo-2,5-dimethoxyphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(4-bromo-2,5-dimethoxy-phenyl)-6,8-dimethyl-2-(2-thienyl)cinchoninamide Formula: C24H21BrN2O3S MolecularWeight: 497.40414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC(=C(C=C4OC)Br)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC(=C(C=C4OC)Br)OC)C

InChI

InChI=1S/C24H21BrN2O3S/c1-13-8-14(2)23-15(9-13)16(10-19(26-23)22-6-5-7-31-22)24(28)27-18-12-20(29-3)17(25)11-21(18)30-4/h5-12H,1-4H3,(H,27,28)