5-(4-bromophenyl)-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[3-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[[3-(isobutyrylamino)phenyl]thiocarbamoyl]-2-furamide Formula: C22H20BrN3O3S MolecularWeight: 486.3815

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H20BrN3O3S/c1-13(2)20(27)24-16-4-3-5-17(12-16)25-22(30)26-21(28)19-11-10-18(29-19)14-6-8-15(23)9-7-14/h3-13H,1-2H3,(H,24,27)(H2,25,26,28,30)