N-[6-bromanyl-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[6-bromanyl-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-thienyl)cinchoninamide Formula: C25H20BrN3O2S2 MolecularWeight: 538.4792

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C25H20BrN3O2S2/c1-2-31-12-11-29-21-10-9-16(26)14-23(21)33-25(29)28-24(30)18-15-20(22-8-5-13-32-22)27-19-7-4-3-6-17(18)19/h3-10,13-15H,2,11-12H2,1H3