N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-(2-thienyl)cinchoninamide Formula: C25H21BrN4OS2 MolecularWeight: 537.49444

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C25H21BrN4OS2/c1-29(2)11-12-30(25-28-20-10-9-16(26)14-23(20)33-25)24(31)18-15-21(22-8-5-13-32-22)27-19-7-4-3-6-17(18)19/h3-10,13-15H,11-12H2,1-2H3