6-bromanyl-2-cyclopropyl-N-[(Z)-1-thiophen-2-ylbutylideneamino]quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-2-cyclopropyl-N-[(Z)-1-thiophen-2-ylbutylideneamino]quinoline-4-carboxamide Openeye Name: 6-bromo-2-cyclopropyl-N-[(Z)-1-(2-thienyl)butylideneamino]quinoline-4-carboxamide CAS Name: 6-bromo-2-cyclopropyl-N-[(Z)-1-thiophen-2-ylbutylideneamino]-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-cyclopropyl-N-[(Z)-1-thiophen-2-ylbutylideneamino]quinoline-4-carboxamide Traditional Name: 6-bromo-2-cyclopropyl-N-[(Z)-1-(2-thienyl)butylideneamino]cinchoninamide Formula: C21H20BrN3OS MolecularWeight: 442.372

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NNC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3CC3)C4=CC=CS4

Isomeric SMILES

CCC/C(=N/NC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3CC3)/C4=CC=CS4

InChI

InChI=1S/C21H20BrN3OS/c1-2-4-18(20-5-3-10-27-20)24-25-21(26)16-12-19(13-6-7-13)23-17-9-8-14(22)11-15(16)17/h3,5,8-13H,2,4,6-7H2,1H3,(H,25,26)/b24-18-