5-(4-bromophenyl)-N-(quinolin-8-ylcarbamothioyl)furan-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-(quinolin-8-ylcarbamothioyl)furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-(8-quinolylcarbamothioyl)furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[(8-quinolinylamino)-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-(quinolin-8-ylcarbamothioyl)furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-(8-quinolylthiocarbamoyl)-2-furamide Formula: C21H14BrN3O2S MolecularWeight: 452.32376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br)N=CC=C2

InChI

InChI=1S/C21H14BrN3O2S/c22-15-8-6-13(7-9-15)17-10-11-18(27-17)20(26)25-21(28)24-16-5-1-3-14-4-2-12-23-19(14)16/h1-12H,(H2,24,25,26,28)