5-bromanyl-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[4-(isovalerylamino)phenyl]thiocarbamoyl]-2-furamide Formula: C17H18BrN3O3S MolecularWeight: 424.31212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN3O3S/c1-10(2)9-15(22)19-11-3-5-12(6-4-11)20-17(25)21-16(23)13-7-8-14(18)24-13/h3-8,10H,9H2,1-2H3,(H,19,22)(H2,20,21,23,25)